NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9716 7.8827 121.3601 61.3284 38.8207 173.5332 3 S 4.9845 8.2668 122.4505 56.4850 63.8767 171.3721 4 Y 5.1671 8.5029 122.9781 56.6679 42.7731 173.5222 5 E 5.1470 8.6859 116.6217 55.8509 32.3418 174.2212 6 F 5.0744 8.6176 122.7333 56.8704 43.5035 172.7294 7 Q 4.6022 7.4734 124.5587 54.6240 31.9831 173.9486 8 T 4.6019 8.1311 118.8632 61.4555 71.5287 171.5453 9 H 4.9991 8.7324 117.6379 53.8012 32.4631 173.7777 *25 K 4.1898 8.2623 118.4325 56.6352 32.0839 174.7984 26 E 4.5591 8.2884 124.8460 54.0435 32.6809 173.9262 27 L 5.0561 8.2904 127.7273 53.5967 44.3901 174.1943 28 Y 4.9263 9.0794 127.8422 55.8114 41.5933 174.3999 29 V 4.8436 7.4014 124.6781 61.4051 35.5708 173.8904 30 Q 5.0587 8.4101 124.7545 55.1713 33.0978 172.7756 31 A 5.4060 9.4523 126.8361 50.7755 23.2519 175.3206 32 T 4.9320 8.6030 114.9413 62.7549 72.4155 173.3416 33 H 4.9453 8.8343 124.2241 55.0081 30.4593 174.7188 34 F 4.8446 8.6150 118.3073 55.9342 43.3126 174.7282 35 N 4.5385 9.0776 118.9057 55.9215 38.2932 176.1084 36 N 4.7518 7.8682 112.7269 53.3452 39.1171 173.8930 37 T 4.4082 7.3566 111.7605 61.6107 70.9739 171.9998 38 I 4.8510 7.9056 126.2942 60.0415 40.7397 174.9853 39 L 4.6016 8.2078 123.8721 54.6324 44.5956 173.5538 40 L 5.2561 9.2208 129.7838 53.3564 44.8086 174.8617 41 Q 5.1305 9.2505 124.8307 54.2579 31.9722 174.7506 42 I 4.8099 9.2266 124.0821 59.9082 40.0836 174.5383 43 R 5.1604 9.3257 127.0778 54.3474 33.0812 175.5565 44 L 4.8968 8.6911 124.4040 53.3353 44.4232 176.3167 45 N 4.1208 9.9331 126.9640 54.4393 36.6805 176.1933 46 G 3.9755 8.2512 103.5184 45.5160 0.0000 173.3168 47 E 4.5760 7.6936 119.6868 55.2650 31.1426 174.9619 48 M 4.8783 8.1905 119.4673 54.9105 35.0702 174.1382 49 D 4.8333 8.9608 121.9684 53.5501 43.3101 175.1128 50 S 4.9395 8.1363 115.2743 57.1771 67.4662 173.2170 51 T 4.8337 8.5010 118.5804 62.3903 72.3378 172.5356 52 Y 5.1938 8.7564 124.2502 56.0246 41.6114 174.4719 53 E 4.7942 9.1229 124.0659 54.6239 31.8785 175.4635 54 V 4.4743 8.3005 129.7539 61.3380 30.5347 174.5125 55 S 5.2185 8.0128 119.4057 56.6583 66.0267 173.8876 56 S 5.1989 8.5015 115.3258 56.0969 65.4239 174.5257 57 K 4.2799 8.6165 118.5409 56.8903 32.5252 178.5433 58 G 3.7975 8.3348 111.4785 45.9237 0.0000 175.5507 59 L 4.2276 8.4852 119.6642 54.2809 42.2134 176.2355 *95 Y 4.9134 7.3731 114.7344 58.7488 39.4564 176.3285 96 Q 4.7619 8.2439 121.3548 54.9991 30.4509 173.1150 97 V 3.9986 8.0601 122.0602 62.7635 32.8012 174.9134 98 V 4.5401 8.9252 126.7630 61.4485 35.3044 174.0779 99 T 4.7300 8.5829 123.9498 62.9534 69.4146 175.1926 100 K 4.2372 8.8913 126.8742 58.0025 33.7047 177.4451 101 L 4.2943 7.4140 122.2835 53.2432 45.1636 175.9892 102 G 3.5243 8.1577 114.2057 45.3168 0.0000 171.6095 103 D 4.5973 8.3163 121.5866 53.4973 39.9375 177.8108 104 S 4.5137 8.8686 119.2216 58.7042 63.4467 174.7915 105 A 4.5275 8.0315 122.9920 51.7978 19.7845 176.1386 106 D 4.4300 7.9452 117.8846 53.3872 41.3419 175.3377 107 P 4.3086 0.0000 0.0000 65.1017 31.9692 178.2985 108 K 3.8969 8.3581 119.3091 59.9192 31.7278 178.0800 109 V 3.2061 7.4853 118.5701 65.2644 31.1733 175.5538 110 P 4.2053 0.0000 0.0000 64.5565 31.5516 178.8267 111 V 3.4475 7.3485 117.4901 65.8768 31.6938 177.6318 112 V 3.3654 7.0374 117.9372 66.1542 31.1352 177.6519 113 C 4.0362 7.7771 116.1423 63.0596 28.1237 176.4849 114 V 3.5156 7.7217 119.5502 65.7479 31.0155 177.7052 115 Q 3.9803 8.1942 118.1364 59.2566 28.7093 178.7992 116 I 3.7486 8.0225 120.1394 64.7114 37.0547 178.4227 117 A 4.1413 8.3756 121.7027 54.9642 17.8019 179.6907 118 E 4.0200 7.9554 116.3886 59.5583 29.7781 178.4507 119 L 4.0073 7.8217 119.0585 57.1298 42.4239 178.3813 120 Y 3.8893 9.1985 115.9541 59.8088 36.9547 179.7944 121 R 3.6391 5.8400 123.9666 58.7531 31.8691 175.8655 122 R 4.7029 7.7528 114.8866 54.4803 30.7995 174.9182 123 V 4.3527 6.9761 118.5616 62.9501 34.6564 171.7567 124 I 4.2809 7.9029 117.3986 61.6496 39.5191 175.1697 125 L 4.4887 7.9709 120.2777 52.8699 41.8712 174.9022 126 P 4.6475 0.0000 0.0000 60.8720 30.2290 174.6964 *138 Q 4.3907 8.0736 123.8374 56.2793 31.0111 175.9091 139 F 4.8777 7.7920 120.3853 56.9072 43.3892 173.1305 140 S 4.4421 7.1092 119.2778 57.1741 65.6192 172.4447 141 L 4.7865 8.0610 127.5779 52.9960 45.7018 174.7856 142 L 5.1463 8.1545 123.4980 52.9965 45.0783 175.4428 143 I 5.0096 9.1397 124.7623 59.5954 40.4706 174.8159 144 S 5.4016 9.1011 122.0497 56.9928 66.1997 173.1057 145 M 5.9384 9.0912 121.0197 53.3823 35.4114 173.9610 146 S 4.5939 8.6814 115.0223 58.1559 63.1499 175.1285 147 S 4.4322 9.2186 123.1563 61.0627 63.1355 176.2598 148 K 4.0433 8.1340 119.1619 58.3351 31.9095 177.7430 149 I 3.4358 7.0804 119.6011 62.8506 37.0453 176.4048 150 W 5.0303 7.3699 118.8115 54.6399 32.6317 174.1948 *161 N 4.5797 8.4412 118.8312 53.8643 37.7622 173.9142 162 D 5.1521 9.1120 116.6484 54.6769 41.3803 174.7448 163 F 4.8686 8.1222 118.5465 59.4897 41.1277 176.7831 164 G 3.8508 8.3906 104.8423 47.9102 0.0000 175.1317 165 K 3.9613 8.2813 121.3106 59.2535 32.5642 178.2055 166 L 4.2567 8.5069 120.1393 58.6903 41.7697 179.3100 167 V 3.5230 7.7362 117.9003 65.5599 31.3835 177.8520 168 F 4.0078 8.1306 120.2684 61.3379 39.3493 177.1028 169 V 3.6621 8.0114 117.8833 66.3238 31.1739 178.0326 170 L 4.0242 7.8956 118.0877 57.4315 41.3222 179.3257 171 K 3.8411 7.9189 119.8113 59.3096 31.8708 178.6498 172 C 4.1262 8.0047 116.8848 62.8059 28.4230 175.8486 173 I 3.8406 7.8266 121.4474 64.2328 36.7012 178.5007 174 K 3.9483 7.6361 118.9072 58.5119 31.6508 178.1804 175 D 3.9973 7.1302 117.2077 54.5264 40.5705 176.2701 176 M 4.5989 6.8296 115.1409 54.1295 31.8605 175.3512 177 Y 3.2507 7.6359 113.6343 58.5351 36.4148 170.6052 178 A 4.0238 7.3480 127.4570 52.7733 19.2604 178.1563 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 2 I 7.88 3.97 1.83 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 1.14 0.57 0.61 0.00 0.00 3 S 8.27 4.98 0.00 3.90 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 4 Y 8.50 5.17 0.00 2.93 2.98 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 5 E 8.69 5.15 0.00 1.93 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 0.00 2.30 2.45 0.00 6 F 8.62 5.07 0.00 3.02 2.79 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 7 Q 7.47 4.60 0.00 2.14 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.50 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 8 T 8.13 4.60 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 1.26 0.00 0.00 9 H 8.73 5.00 0.00 3.13 3.19 0.00 5.98 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 K 8.26 4.19 0.00 1.71 1.78 0.00 1.70 0.00 0.00 2.23 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.36 7.81 26 E 8.29 4.56 0.00 1.53 1.64 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 2.18 2.03 0.00 27 L 8.29 5.06 0.00 1.85 1.62 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 9.08 4.93 0.00 3.05 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 29 V 7.40 4.84 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 0.89 0.00 0.00 0.99 0.00 0.00 30 Q 8.41 5.06 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 31 A 9.45 5.41 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 32 T 8.60 4.93 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 1.12 0.00 0.00 33 H 8.83 4.95 0.00 3.14 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.61 4.84 0.00 3.09 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 35 N 9.08 4.54 0.00 2.77 2.93 0.00 0.00 6.76 8.00 0.00 0.00 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 N 7.87 4.75 0.00 2.77 2.91 0.00 0.00 5.77 7.71 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 37 T 7.36 4.41 4.07 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 0.94 0.00 0.00 38 I 7.91 4.85 1.44 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.36 0.66 0.00 0.00 39 L 8.21 4.60 0.00 1.70 1.77 0.87 0.68 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 40 L 9.22 5.26 0.00 1.76 1.47 1.08 0.87 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 41 Q 9.25 5.13 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 42 I 9.23 4.81 1.99 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 1.31 0.83 0.99 0.00 0.00 43 R 9.33 5.16 0.00 1.90 1.77 0.00 3.03 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 44 L 8.69 4.90 0.00 1.66 1.46 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.93 4.12 0.00 2.89 2.78 0.00 0.00 6.59 8.62 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 46 G 8.25 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 0.00 0.00 0.00 47 E 7.69 4.58 0.00 2.21 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 2.25 2.47 0.00 48 M 8.19 4.88 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 49 D 8.96 4.83 0.00 2.66 2.69 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 50 S 8.14 4.94 0.00 3.91 3.58 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 51 T 8.50 4.83 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 1.16 0.00 0.00 52 Y 8.76 5.19 0.00 2.92 2.81 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 53 E 9.12 4.79 0.00 2.00 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 0.00 2.18 2.16 0.00 54 V 8.30 4.47 2.02 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 0.69 0.00 0.00 0.91 0.00 0.00 55 S 8.01 5.22 0.00 4.07 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 56 S 8.50 5.20 0.00 4.12 4.28 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 57 K 8.62 4.28 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.52 7.81 58 G 8.33 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 59 L 8.49 4.23 0.00 1.64 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *95 Y 7.37 4.91 0.00 2.98 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 96 Q 8.24 4.76 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 97 V 8.06 4.00 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 0.78 0.00 0.00 0.90 0.00 0.00 98 V 8.93 4.54 2.11 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 1.02 0.00 0.00 1.03 0.00 0.00 99 T 8.58 4.73 4.34 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 1.26 0.00 0.00 100 K 8.89 4.24 0.00 1.64 1.78 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.47 7.81 101 L 7.41 4.29 0.00 1.63 1.34 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.16 3.52 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 0.00 103 D 8.32 4.60 0.00 2.77 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 0.00 104 S 8.87 4.51 0.00 4.08 4.04 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 0.00 0.00 0.00 105 A 8.03 4.53 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 0.00 106 D 7.95 4.43 0.00 2.94 2.68 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 0.00 107 P 0.00 4.31 0.00 2.18 2.14 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 108 K 8.36 3.90 0.00 2.11 1.55 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.42 7.81 109 V 7.49 3.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.81 0.00 0.00 110 P 0.00 4.21 0.00 2.12 2.03 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 111 V 7.35 3.45 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 0.88 0.00 0.00 112 V 7.04 3.37 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 0.88 0.00 0.00 -0.11 0.00 0.00 113 C 7.78 4.04 0.00 2.88 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 0.00 114 V 7.72 3.52 2.22 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 1.33 0.00 0.00 1.03 0.00 0.00 115 Q 8.19 3.98 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 116 I 8.02 3.75 2.06 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 1.54 1.28 1.11 0.00 0.00 117 A 8.38 4.14 0.77 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 0.00 118 E 7.96 4.02 0.00 2.22 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 2.77 2.53 0.00 119 L 7.82 4.01 0.00 1.59 1.89 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 9.20 3.89 0.00 3.40 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 0.00 121 R 5.84 3.64 0.00 1.85 1.92 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.08 0.00 122 R 7.75 4.70 0.00 1.73 1.82 0.00 3.18 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 123 V 6.98 4.35 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 0.67 0.00 0.00 0.90 0.00 0.00 124 I 7.90 4.28 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.70 0.00 0.00 125 L 7.97 4.49 0.00 1.70 1.71 1.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.65 0.00 2.16 2.09 0.00 3.80 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 1.91 1.94 0.00 *138 Q 8.07 4.39 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 139 F 7.79 4.88 0.00 3.23 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 0.00 140 S 7.11 4.44 0.00 3.77 3.62 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 0.00 141 L 8.06 4.79 0.00 1.38 1.24 0.69 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.15 5.15 0.00 1.65 1.46 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 143 I 9.14 5.01 2.02 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 1.26 1.00 1.03 0.00 0.00 144 S 9.10 5.40 0.00 3.75 3.74 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 0.00 145 M 9.09 5.94 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 146 S 8.68 4.59 0.00 4.15 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 0.00 147 S 9.22 4.43 0.00 4.15 4.31 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 0.00 148 K 8.13 4.04 0.00 1.72 1.87 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 149 I 7.08 3.44 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.26 -0.64 0.00 0.00 150 W 7.37 5.03 0.00 3.25 3.32 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 *161 N 8.44 4.58 0.00 2.87 2.91 0.00 0.00 6.17 8.06 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 0.00 162 D 9.11 5.15 0.00 2.99 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 0.00 163 F 8.12 4.87 0.00 3.19 2.98 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 0.00 164 G 8.39 3.85 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 0.00 0.00 0.00 165 K 8.28 3.96 0.00 2.09 2.09 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 1.37 7.81 166 L 8.51 4.26 0.00 1.85 1.74 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.74 3.52 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 0.98 0.00 0.00 0.69 0.00 0.00 168 F 8.13 4.01 0.00 3.26 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 0.00 169 V 8.01 3.66 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 1.12 0.00 0.00 1.04 0.00 0.00 170 L 7.90 4.02 0.00 2.03 1.64 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.92 3.84 0.00 1.84 1.55 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.34 7.81 172 C 8.00 4.13 0.00 3.05 3.03 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 0.00 173 I 7.83 3.84 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.82 0.00 0.00 174 K 7.64 3.95 0.00 1.53 1.59 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.26 7.81 175 D 7.13 4.00 0.00 1.60 1.54 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 0.00 176 M 6.83 4.60 0.00 2.33 2.45 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 177 Y 7.64 3.25 0.00 2.99 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 0.00 178 A 7.35 4.02 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 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.