NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1321 8.2649 123.5844 47.4532 21.1262 174.8547 2 K 3.4948 7.7521 124.2150 54.5829 29.2765 174.4555 3 Q 4.0008 8.2514 124.2836 59.3717 29.5915 177.9227 4 S 4.1053 8.0621 114.0028 62.0387 63.0702 175.9217 5 M 4.1374 7.9645 121.3826 58.0939 31.9965 177.8598 6 K 3.8740 8.8413 119.0541 59.6907 32.2166 179.0395 7 A 4.0001 8.2529 120.8764 55.0340 18.3617 179.5043 8 R 3.8171 7.9178 116.6290 59.6015 29.9917 178.3671 9 E 3.8780 8.1665 117.0889 59.5868 29.6629 178.5926 10 V 3.7423 7.4753 117.9206 66.0165 31.5506 178.0094 11 K 3.9251 8.0405 117.8687 59.7968 32.0269 179.4756 12 R 3.9795 7.8757 117.7340 59.2970 29.9357 179.1383 13 V 3.5453 7.5484 117.9126 65.8479 31.5524 177.6969 14 A 3.9949 7.9636 119.7422 55.3096 18.4463 179.0523 15 L 3.9306 7.9824 117.1567 58.2779 41.7239 179.8955 16 A 4.8394 7.8249 121.1183 54.9741 18.1816 179.4432 17 D 4.4787 7.9562 115.7244 57.2076 40.8720 178.3652 18 K 4.2019 8.0313 119.4197 58.0410 32.5638 178.4467 19 Y 3.7082 8.9937 116.9792 59.4789 37.2719 177.7871 20 F 4.4940 5.5211 126.3612 61.3456 40.4450 177.8566 21 A 4.0923 8.0859 123.1091 54.9405 18.0382 178.5711 22 K 5.5721 8.3254 110.7429 55.0719 33.6894 177.2327 23 R 4.5434 7.9280 118.8043 56.6885 32.5052 177.0314 24 A 4.4405 8.3894 118.8035 52.5829 18.1840 178.0654 25 E 4.2007 8.4487 120.1450 59.8488 30.5929 178.8550 26 L 3.9303 8.2494 120.1396 58.5132 40.3659 179.1218 27 K 3.8325 8.3709 117.3613 59.2557 32.1719 177.7973 28 A 4.1116 7.9464 120.6325 53.5492 17.9967 176.6159 29 I 4.4676 7.4992 114.6160 61.6023 40.1511 177.5979 30 I 3.5156 7.1829 119.6976 65.8760 37.9122 177.7496 31 S 4.3194 8.0366 119.7118 60.4025 63.2955 174.1192 32 D 4.7030 7.5963 120.0788 52.0592 42.3430 175.2072 33 V 3.8256 8.1891 124.1558 63.5635 32.3695 174.9713 34 N 5.0619 8.6169 126.0847 53.1042 41.5635 176.4731 35 A 3.8548 9.2891 130.2384 55.5460 19.0055 178.5262 *40 R 4.5785 7.4582 109.5439 56.6087 30.8302 174.7394 41 W 5.1211 8.1008 123.9355 55.8605 33.7453 174.4283 42 N 4.2545 8.5810 124.9538 56.3747 38.7700 176.2880 43 A 3.9245 6.9588 121.8360 55.3210 18.5325 179.7269 44 V 3.7058 7.9225 115.8745 65.8954 31.4613 177.7314 45 L 4.0574 7.9003 119.4268 57.1496 41.9541 178.0047 46 K 4.4323 7.5802 115.8606 56.4341 33.1144 177.6740 47 L 4.1999 7.9244 121.8899 57.6732 41.7478 178.3169 48 Q 4.3426 7.9585 112.4287 57.6414 28.1676 177.2940 49 T 4.3480 7.6715 118.1503 61.2213 67.0444 172.9086 50 L 4.5972 7.4254 132.9574 55.7413 42.4019 174.9113 51 P 3.7197 0.0000 0.0000 65.0048 33.3725 179.7238 52 R 3.8087 8.6060 119.4918 56.3426 29.6116 177.3924 53 D 4.0731 9.4754 118.0914 57.1027 41.7961 177.7234 54 S 4.1560 8.0087 113.4155 60.2257 62.5551 174.3252 55 S 4.8263 8.6432 117.1842 58.1894 63.3719 172.7487 56 P 4.4243 0.0000 0.0000 66.3085 31.4941 180.1349 57 S 4.5086 7.7885 115.4253 58.1990 61.7340 174.7340 58 R 4.5324 7.7393 116.2639 55.6398 32.0868 175.9895 59 Q 4.4341 7.6444 117.9982 55.5637 29.7798 176.4615 60 R 4.3754 9.4247 112.9591 56.0193 29.5436 176.7905 61 N 3.6120 8.7152 113.6653 50.7292 38.1968 172.2646 62 R 4.2949 7.6068 122.8559 55.6976 30.8013 175.9250 63 C 4.1985 8.6682 120.7824 59.8751 31.7771 174.2563 64 R 3.9221 8.6260 128.1641 59.4604 29.1914 176.3630 65 Q 4.1364 7.3931 118.4587 58.1281 29.3722 176.9459 66 T 3.9627 7.6053 111.0625 64.6225 69.9452 175.0353 67 G 3.8216 8.6087 110.3252 44.2654 0.0000 172.9241 68 R 3.8899 8.4107 120.5505 55.6810 29.7163 175.4095 69 P 4.5798 0.0000 0.0000 64.4255 32.8553 176.1788 70 H 4.6720 7.7618 114.3005 55.7829 30.4064 176.5923 71 G 4.1705 9.3072 125.2063 46.3328 0.0000 171.4265 72 F 5.4283 8.6551 127.5192 55.9734 43.3735 174.4145 73 L 4.5072 6.8248 121.7287 52.6356 43.4229 177.3015 74 R 3.9725 8.8146 123.8912 59.3625 30.1290 178.2815 75 K 3.7212 7.7012 117.4215 59.3518 31.0196 177.6091 76 F 4.3070 7.5786 116.3662 57.7293 39.7372 177.3797 77 G 3.9436 8.6935 108.9450 45.8828 0.0000 172.8652 78 L 5.1337 6.8424 118.7373 51.5774 45.5449 176.3695 79 S 5.2599 8.5772 116.4650 57.8112 64.7916 175.0767 80 R 3.9241 8.6007 119.6550 60.1558 28.6270 178.6385 81 I 3.5986 7.7226 119.7786 63.5917 37.2190 177.8449 82 K 3.7966 7.7656 117.7482 59.8877 32.0539 179.0394 83 V 3.3278 7.5026 117.8415 66.2429 31.3157 178.1250 84 R 3.7527 7.2845 117.9592 59.4146 29.7984 177.9886 85 E 3.9177 8.2562 117.8605 58.5695 29.6644 178.0067 86 A 4.3145 8.2007 120.4301 54.2535 19.6030 178.7383 87 A 3.8248 8.0699 119.6668 56.0934 18.0412 179.8421 88 M 4.0570 7.6857 115.4221 58.1789 32.1571 178.4106 89 R 4.2293 8.0792 116.3497 56.1208 30.5991 176.5082 90 G 3.8085 7.6779 106.8886 46.7438 0.0000 175.4172 91 E 4.1398 8.3336 120.1247 58.5181 30.1192 177.7838 92 I 4.1431 7.4677 118.7928 59.7219 38.3540 173.8974 93 P 4.3162 0.0000 0.0000 63.6365 31.9437 176.9223 94 G 3.7736 8.7762 108.5566 45.9510 0.0000 172.4650 95 L 4.5944 7.4330 121.0731 52.9014 42.8355 175.6693 96 K 4.5758 8.2054 123.7147 54.7878 35.6777 175.5177 97 K 3.8600 8.5773 118.2468 56.6827 31.7297 177.2737 98 A 4.4393 8.5211 127.2334 51.9645 19.2886 176.4391 99 S 4.6462 8.2854 110.6659 57.8560 64.9147 176.7926 100 W 4.2460 8.2253 119.1188 57.4311 27.1980 174.0836 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 A 8.26 4.13 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 2 K 7.75 3.49 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.25 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 4 S 8.06 4.11 0.00 4.05 4.02 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 5 M 7.96 4.14 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 6 K 8.84 3.87 0.00 1.98 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 7 A 8.25 4.00 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 8 R 7.92 3.82 0.00 2.16 2.00 0.00 3.15 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 E 8.17 3.88 0.00 1.91 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 0.00 2.27 2.43 0.00 10 V 7.48 3.74 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 0.98 0.00 0.00 0.99 0.00 0.00 11 K 8.04 3.93 0.00 1.99 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.63 7.81 12 R 7.88 3.98 0.00 2.02 2.01 0.00 3.27 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 13 V 7.55 3.55 2.34 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 1.05 0.00 0.00 1.01 0.00 0.00 14 A 7.96 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 15 L 7.98 3.93 0.00 1.90 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.82 4.84 1.52 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 0.00 0.00 17 D 7.96 4.48 0.00 2.85 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 18 K 8.03 4.20 0.00 2.06 1.84 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.70 7.81 19 Y 8.99 3.71 0.00 2.82 2.47 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 20 F 5.52 4.49 0.00 3.21 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 21 A 8.09 4.09 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 22 K 8.33 5.57 0.00 1.69 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.34 7.81 23 R 7.93 4.54 0.00 2.04 2.05 0.00 3.33 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 24 A 8.39 4.44 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 25 E 8.45 4.20 0.00 2.18 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 2.24 2.41 0.00 26 L 8.25 3.93 0.00 1.90 2.08 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.37 3.83 0.00 1.86 2.03 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.62 7.81 28 A 7.95 4.11 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 29 I 7.50 4.47 1.95 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 1.29 1.10 0.89 0.00 0.00 30 I 7.18 3.52 2.02 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 1.41 0.34 1.01 0.00 0.00 31 S 8.04 4.32 0.00 4.02 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 32 D 7.60 4.70 0.00 2.72 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 33 V 8.19 3.83 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 0.86 0.00 0.00 0.94 0.00 0.00 34 N 8.62 5.06 0.00 2.71 2.13 0.00 0.00 7.13 7.35 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 35 A 9.29 3.85 1.06 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 *40 R 7.46 4.58 0.00 2.05 2.28 0.00 2.72 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 41 W 8.10 5.12 0.00 3.26 2.94 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 42 N 8.58 4.25 0.00 2.59 2.53 0.00 0.00 7.16 7.96 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 43 A 6.96 3.92 0.99 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 0.00 0.00 44 V 7.92 3.71 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 1.14 0.00 0.00 1.25 0.00 0.00 45 L 7.90 4.06 0.00 1.92 1.85 0.93 0.39 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 46 K 7.58 4.43 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.51 7.81 47 L 7.92 4.20 0.00 1.96 1.89 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.96 4.34 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 49 T 7.67 4.35 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 1.20 0.00 0.00 50 L 7.43 4.60 0.00 1.60 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.72 0.00 1.36 1.43 0.00 3.77 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.61 0.00 52 R 8.61 3.81 0.00 1.99 1.55 0.00 3.27 0.00 0.00 3.34 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 53 D 9.48 4.07 0.00 2.65 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 54 S 8.01 4.16 0.00 3.61 3.47 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 55 S 8.64 4.83 0.00 4.07 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 56 P 0.00 4.42 0.00 2.19 2.29 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 57 S 7.79 4.51 0.00 3.86 3.91 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 58 R 7.74 4.53 0.00 1.89 1.90 0.00 3.39 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 59 Q 7.64 4.43 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.34 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 60 R 9.42 4.38 0.00 1.73 1.87 0.00 3.16 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.53 0.00 61 N 8.72 3.61 0.00 1.86 1.42 0.00 0.00 7.20 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 62 R 7.61 4.29 0.00 1.95 2.03 0.00 3.21 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 63 C 8.67 4.20 0.00 3.07 3.16 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 64 R 8.63 3.92 0.00 2.22 2.05 0.00 3.42 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 65 Q 7.39 4.14 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 66 T 7.61 3.96 4.27 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 1.23 0.00 0.00 67 G 8.61 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 68 R 8.41 3.89 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 69 P 0.00 4.58 0.00 2.06 2.12 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 70 H 7.76 4.67 0.00 3.06 2.60 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.31 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 0.00 0.00 0.00 0.00 72 F 8.66 5.43 0.00 3.14 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 73 L 6.82 4.51 0.00 1.69 1.54 1.10 0.95 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 74 R 8.81 3.97 0.00 1.82 2.10 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 75 K 7.70 3.72 0.00 1.33 1.31 0.00 1.10 0.00 0.00 1.29 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.58 4.31 0.00 3.10 2.99 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 77 G 8.69 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 78 L 6.84 5.13 0.00 1.82 1.52 1.01 0.78 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 79 S 8.58 5.26 0.00 4.11 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 80 R 8.60 3.92 0.00 2.06 2.29 0.00 2.97 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 81 I 7.72 3.60 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.90 0.00 0.00 82 K 7.77 3.80 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 83 V 7.50 3.33 1.90 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 0.28 0.00 0.00 0.86 0.00 0.00 84 R 7.28 3.75 0.00 1.84 2.04 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 85 E 8.26 3.92 0.00 1.95 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 2.31 2.32 0.00 86 A 8.20 4.31 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 87 A 8.07 3.82 1.24 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 0.00 0.00 0.00 88 M 7.69 4.06 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 89 R 8.08 4.23 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 90 G 7.68 3.81 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 0.00 0.00 0.00 91 E 8.33 4.14 0.00 1.95 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 2.48 2.25 0.00 92 I 7.47 4.14 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.40 1.15 0.00 0.00 93 P 0.00 4.32 0.00 2.24 2.19 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 94 G 8.78 3.77 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 0.00 0.00 0.00 95 L 7.43 4.59 0.00 1.82 1.59 1.05 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.21 4.58 0.00 1.85 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 97 K 8.58 3.86 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 98 A 8.52 4.44 1.47 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 99 S 8.29 4.65 0.00 3.94 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 0.00 100 W 8.23 4.25 0.00 3.37 3.15 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 * Residues marked with a * may have inaccurate shift predictions.