NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4179 8.2649 123.5958 52.0629 19.9578 175.9932 2 N 4.9504 8.3055 116.8301 51.5153 42.6736 173.7714 3 A 4.5154 8.8295 121.2546 55.1183 21.4200 178.9648 4 F 3.6338 7.6974 123.3057 59.9943 42.2442 177.3066 5 L 3.8495 6.3231 128.3725 54.7080 39.6016 175.9145 *8 L 4.3605 7.9951 123.5744 54.0938 43.7938 177.9931 9 R 4.1835 7.6993 116.0280 54.9638 30.7192 174.1355 10 P 4.5412 0.0000 0.0000 61.4556 32.2295 176.7265 11 G 3.6449 8.1979 108.5174 46.2221 0.0000 173.6194 12 S 4.2289 8.1532 116.5853 56.7538 64.6630 174.3484 13 L 3.6541 8.4599 128.6187 56.1916 41.5130 178.2068 *15 R 4.2106 7.9267 113.5178 55.8720 31.7247 176.8298 *17 C 4.9365 8.0516 115.1510 56.8507 42.0533 173.9232 18 K 4.3532 7.9281 118.0603 56.7863 32.0142 176.9146 *21 Q 4.3237 8.0410 117.3328 56.0710 29.7048 174.1863 22 C 4.9895 9.1225 118.0438 53.7327 43.8684 173.4752 23 S 4.8866 8.3264 115.4553 56.9762 64.5228 173.9655 24 F 2.5323 7.9699 123.4627 57.9581 37.3013 174.7407 *27 A 4.0479 7.9401 126.9454 51.7801 20.7652 180.5745 28 R 4.2879 7.6117 115.7800 55.7410 29.3510 178.6806 *30 I 3.8262 7.9459 117.4866 60.8660 38.7971 177.3658 31 F 4.1662 7.9983 116.9557 57.8405 39.2234 176.6605 32 K 4.2158 8.7017 124.3783 57.3410 31.0533 175.8506 33 D 4.4367 7.6973 117.5734 53.8187 41.9510 176.9615 34 A 4.2836 8.6537 125.2380 53.8647 18.4778 179.2141 *36 R 4.1550 8.0223 117.7703 57.7016 31.7957 178.1393 37 T 3.7119 8.0084 114.4215 66.3877 68.2021 176.6225 38 K 4.2541 8.6180 122.1704 59.6253 31.6801 179.0029 39 L 4.0143 7.9046 119.5430 58.5022 40.3407 178.8827 40 F 3.9546 8.0384 121.6146 60.9902 39.3789 176.8348 41 W 4.1460 8.6568 128.1139 60.4676 30.2642 177.3258 42 I 3.6523 7.8737 117.8566 64.3970 37.7374 177.2682 43 S 4.3045 7.2982 111.6726 60.5386 62.9217 175.8728 44 Y 3.6942 7.2552 122.1971 60.0626 38.4170 176.8670 45 S 3.9636 7.0225 111.0166 57.7534 63.4324 174.4692 46 D 4.1615 7.3849 121.9947 55.6938 41.1442 177.5921 47 G 3.8052 7.8930 102.9405 45.8156 0.0000 172.7836 48 D 4.6776 8.1610 120.7955 52.6614 40.1250 177.0044 49 Q 4.1806 9.3086 126.3977 57.9016 28.9663 177.1264 50 C 4.2893 8.3340 114.9027 57.2961 40.9057 175.2928 51 A 3.8170 7.7819 123.3262 55.3322 17.8691 178.6361 52 S 4.2569 7.9394 106.6070 58.0403 62.4284 174.1749 53 S 3.5860 8.1468 117.6709 59.3802 60.3692 171.7764 54 P 4.1956 0.0000 0.0000 65.0609 31.8379 177.8346 55 C 4.5763 7.2349 116.2109 56.2593 38.2521 173.6467 56 Q 4.2401 9.0388 124.9595 54.9504 29.7568 175.0846 57 N 3.5586 9.4016 113.1448 54.5005 35.8727 175.6047 58 G 3.7461 8.2696 101.8843 45.7785 0.0000 174.3519 59 G 3.9800 7.6550 106.6487 45.7496 0.0000 173.6482 60 S 4.9708 9.2359 116.3334 56.6656 65.7843 172.8212 61 C 5.3641 8.8303 124.1681 55.4538 46.3844 172.8795 62 K 4.7255 9.0305 123.8421 54.4862 35.3637 175.4899 63 D 4.8967 8.9373 125.1733 54.7613 42.1742 175.0740 64 Q 4.5354 8.6456 121.9546 54.2211 32.8666 174.2190 65 L 4.2786 8.3993 118.5611 56.0531 41.6647 177.3636 66 Q 4.0072 9.1115 122.6638 56.2082 27.1228 173.3466 67 S 4.5435 7.4702 111.3632 58.6130 65.9732 173.1864 68 Y 5.3918 7.4787 117.4547 56.3663 41.1476 173.9480 69 I 4.5290 8.9296 119.6044 59.6981 40.8489 174.0712 70 C 5.4417 8.8366 124.0285 55.5015 39.5533 173.0173 71 F 4.5680 9.5825 123.6793 56.2863 40.0931 174.8383 72 C 5.0892 8.7304 121.2727 55.2928 42.2608 173.9035 73 L 4.4320 8.4160 120.3249 53.8788 42.1171 176.4530 74 P 4.1819 0.0000 0.0000 66.0047 31.4392 177.1922 75 A 4.2263 8.0664 118.2353 52.0577 18.5888 176.1978 76 F 5.3219 8.0927 114.9223 56.3433 43.1372 173.6231 77 E 4.5599 9.0417 119.2104 55.3693 32.6007 174.9735 78 G 4.2664 8.9271 104.1072 45.1257 0.0000 174.3020 79 R 3.8599 8.4969 119.9031 58.8523 30.1854 177.1277 80 N 4.9997 8.7769 113.3634 52.6634 39.0536 174.0663 81 C 4.4995 8.1482 113.5104 57.9777 38.3347 174.5017 82 E 4.0465 8.3229 118.9248 58.6440 30.0010 176.7091 83 T 4.2488 8.1506 118.1364 62.9575 69.1814 173.4660 84 H 4.5663 8.8375 124.5222 54.3431 28.7465 176.3338 85 K 3.9085 8.5490 126.1582 59.4113 32.0334 179.1127 86 D 4.4024 7.8268 116.8087 56.2352 40.9417 176.4530 87 D 4.8345 7.9184 118.0270 54.2166 40.8669 176.6863 88 Q 4.5251 7.5030 115.8517 55.6910 29.2860 177.1169 89 L 4.3211 7.6709 122.0485 53.9846 40.2839 175.3940 90 I 4.7674 7.1911 115.3165 58.2102 41.1298 178.3013 91 C 4.4159 9.0539 118.6759 60.0543 40.0927 176.5533 92 V 3.5081 7.6972 111.0168 62.6861 31.6879 175.9684 93 N 4.5554 8.0471 119.8454 52.7207 37.8360 174.2367 94 E 3.7250 9.1041 128.9029 57.3686 27.5035 175.0895 95 N 4.5203 8.3059 110.1323 53.4455 37.7821 174.3020 96 G 3.9062 8.7568 101.6673 45.7854 0.0000 175.6530 97 G 3.9214 8.3270 106.1422 45.3514 0.0000 173.9377 98 C 4.5288 7.8556 117.3625 56.3220 41.0534 173.6693 99 E 4.0083 9.0411 125.4845 58.7204 30.1007 176.8199 100 Q 4.1160 7.9411 113.6125 55.7027 30.5480 176.0860 101 Y 5.0531 5.8882 119.3215 57.5067 41.3090 174.7690 102 C 5.4150 8.7182 120.9459 55.0381 47.5721 173.1569 103 S 4.7603 9.0407 121.5551 56.7041 65.6721 173.2517 104 D 4.6793 8.6621 124.8134 54.5626 42.0392 176.3881 105 H 4.7544 8.5028 118.3079 53.9949 31.8814 172.3104 106 T 4.0010 8.4129 118.1709 63.2947 67.8616 172.6347 107 G 4.1228 9.2863 116.1866 45.2282 0.0000 172.3978 108 T 4.5982 7.0366 111.4149 59.2741 70.1874 172.7876 109 K 4.4311 8.2633 123.6680 55.8768 32.9367 176.7303 110 R 4.5243 8.5102 121.3663 56.1695 30.6903 175.3048 111 S 4.9531 9.0399 114.0849 56.8381 66.7269 172.0119 112 C 5.5295 8.7576 117.0139 55.4694 41.5683 173.2338 113 R 4.8766 8.8697 119.7347 54.8932 34.6728 173.1366 114 C 5.1950 8.5776 115.9307 55.2433 38.5230 174.0235 115 H 4.5798 9.1021 120.5980 55.2874 30.2202 174.4322 116 E 4.1117 8.3714 124.3148 58.0785 29.9190 177.2372 117 G 3.9874 9.9095 113.1164 45.1799 0.0000 172.0684 118 Y 5.4072 7.6730 115.4839 56.3508 42.1969 174.7049 119 S 4.9014 9.2512 116.1087 56.2153 66.8504 172.8836 120 L 4.5767 8.4514 123.4554 55.0423 42.7592 176.6399 121 L 4.3759 9.2863 126.3087 54.0084 43.0278 177.9110 122 A 3.9633 8.8529 122.9652 55.6851 18.2501 179.0426 123 D 4.3288 8.1566 114.3474 54.6886 39.2666 178.2815 124 G 3.9575 8.3165 107.6936 45.7812 0.0000 174.3076 125 V 4.3595 7.6310 111.1266 61.7555 35.1103 176.2444 126 S 4.9499 8.8313 116.0238 57.9407 64.5845 172.8780 127 C 5.5378 8.9540 119.1470 55.4816 40.6415 173.5326 128 T 5.0011 8.9137 117.1975 59.3335 70.2930 171.3866 129 P 4.5539 0.0000 0.0000 63.0596 31.9938 175.9944 130 T 4.5314 8.4548 111.5343 61.6153 69.5067 173.9953 131 V 4.4913 7.2007 113.9524 59.4235 35.8512 175.1298 132 E 3.8235 8.7474 121.8871 58.8743 29.7726 176.7552 133 Y 4.7484 7.2870 115.1317 55.1484 38.0154 173.2372 134 P 4.3527 0.0000 0.0000 61.8830 32.5976 177.2375 135 C 4.2104 8.4298 114.8008 59.6558 30.0428 173.7505 136 G 3.9643 8.8939 108.5987 45.9837 0.0000 173.3393 137 K 4.6346 7.9230 117.1241 54.3597 35.4127 176.4792 138 I 4.3296 7.9846 123.7132 58.5643 36.7457 174.1891 139 P 4.7475 0.0000 0.0000 64.9266 31.0325 178.3671 140 I 3.8386 7.8075 110.1209 62.3661 37.1288 175.9394 141 L 4.3366 7.1742 120.9065 55.4712 43.0260 176.2914 142 E 4.1140 8.0672 119.5075 56.9947 29.1645 177.1786 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 4.42 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 2 N 8.31 4.95 0.00 2.79 2.73 0.00 0.00 6.71 6.46 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 3 A 8.83 4.52 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 4 F 7.70 3.63 0.00 2.94 3.36 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 5 L 6.32 3.85 0.00 1.03 1.34 0.57 0.79 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 *8 L 8.00 4.36 0.00 1.68 1.77 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.70 4.18 0.00 1.78 1.85 0.00 3.19 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 P 0.00 4.54 0.00 2.00 1.96 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 11 G 8.20 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 12 S 8.15 4.23 0.00 3.73 3.67 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 13 L 8.46 3.65 0.00 1.40 1.45 0.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.93 4.21 0.00 1.97 1.99 0.00 3.27 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 *17 C 8.05 4.94 0.00 3.04 3.01 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 0.00 0.00 0.00 18 K 7.93 4.35 0.00 1.80 1.89 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.60 7.81 *21 Q 8.04 4.32 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 22 C 9.12 4.99 0.00 3.20 3.18 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 23 S 8.33 4.89 0.00 4.08 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 24 F 7.97 2.53 0.00 2.03 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 *27 A 7.94 4.05 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 28 R 7.61 4.29 0.00 1.34 1.72 0.00 3.24 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 *30 I 7.95 3.83 1.54 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 1.18 0.45 0.16 0.00 0.00 31 F 8.00 4.17 0.00 2.95 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 32 K 8.70 4.22 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.31 7.81 33 D 7.70 4.44 0.00 2.74 2.57 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 0.00 34 A 8.65 4.28 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 *36 R 8.02 4.16 0.00 2.13 1.91 0.00 3.38 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 37 T 8.01 3.71 4.36 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 0.67 0.00 0.00 38 K 8.62 4.25 0.00 1.90 2.00 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.68 7.81 39 L 7.90 4.01 0.00 1.92 1.93 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.04 3.95 0.00 2.66 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 41 W 8.66 4.15 0.00 3.86 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.65 2.13 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 0.83 0.92 0.00 0.00 43 S 7.30 4.30 0.00 3.79 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 44 Y 7.26 3.69 0.00 1.67 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 0.00 0.00 0.00 0.00 45 S 7.02 3.96 0.00 3.57 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 46 D 7.38 4.16 0.00 2.79 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 47 G 7.89 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 48 D 8.16 4.68 0.00 2.71 2.54 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 49 Q 9.31 4.18 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 50 C 8.33 4.29 0.00 3.19 3.05 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 0.00 0.00 0.00 51 A 7.78 3.82 1.27 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 0.00 0.00 0.00 52 S 7.94 4.26 0.00 3.92 3.92 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 53 S 8.15 3.59 0.00 3.92 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 54 P 0.00 4.20 0.00 1.66 1.73 0.00 3.47 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.00 55 C 7.23 4.58 0.00 2.97 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 56 Q 9.04 4.24 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.21 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 57 N 9.40 3.56 0.00 1.98 1.42 0.00 0.00 6.93 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 58 G 8.27 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 0.00 0.00 0.00 59 G 7.66 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 60 S 9.24 4.97 0.00 3.77 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 61 C 8.83 5.36 0.00 2.95 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 62 K 9.03 4.73 0.00 2.12 1.81 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.65 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.33 1.31 7.81 63 D 8.94 4.90 0.00 2.81 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 64 Q 8.65 4.54 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 65 L 8.40 4.28 0.00 1.69 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.11 4.01 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 67 S 7.47 4.54 0.00 3.73 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 68 Y 7.48 5.39 0.00 3.06 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 69 I 8.93 4.53 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.04 0.41 0.00 0.00 70 C 8.84 5.44 0.00 3.04 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 71 F 9.58 4.57 0.00 3.01 3.05 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 0.00 0.00 0.00 72 C 8.73 5.09 0.00 3.00 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 73 L 8.42 4.43 0.00 1.92 1.74 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.18 0.00 2.07 2.18 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 75 A 8.07 4.23 0.89 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 76 F 8.09 5.32 0.00 3.01 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 77 E 9.04 4.56 0.00 2.13 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 2.21 2.28 0.00 78 G 8.93 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 0.00 0.00 0.00 0.00 79 R 8.50 3.86 0.00 1.75 2.02 0.00 3.21 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 80 N 8.78 5.00 0.00 2.93 2.96 0.00 0.00 7.01 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 81 C 8.15 4.50 0.00 3.26 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 82 E 8.32 4.05 0.00 2.21 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 2.33 2.31 0.00 83 T 8.15 4.25 4.42 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 1.24 0.00 0.00 84 H 8.84 4.57 0.00 3.25 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.55 3.91 0.00 1.73 1.77 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.33 7.81 86 D 7.83 4.40 0.00 2.60 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 87 D 7.92 4.83 0.00 2.77 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 88 Q 7.50 4.53 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.42 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 89 L 7.67 4.32 0.00 1.57 1.59 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.19 4.77 1.86 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 1.60 0.73 0.90 0.00 0.00 91 C 9.05 4.42 0.00 3.14 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 92 V 7.70 3.51 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 0.65 0.00 0.00 0.92 0.00 0.00 93 N 8.05 4.56 0.00 2.80 2.92 0.00 0.00 7.13 6.96 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 94 E 9.10 3.73 0.00 2.15 1.95 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 2.30 2.21 0.00 95 N 8.31 4.52 0.00 2.95 2.82 0.00 0.00 7.58 7.90 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 96 G 8.76 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 0.00 0.00 0.00 97 G 8.33 3.92 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 0.00 98 C 7.86 4.53 0.00 3.07 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 99 E 9.04 4.01 0.00 1.89 1.94 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 2.19 2.21 0.00 100 Q 7.94 4.12 0.00 1.73 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.62 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 101 Y 5.89 5.05 0.00 2.95 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 0.00 102 C 8.72 5.42 0.00 3.04 2.91 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 0.00 103 S 9.04 4.76 0.00 3.74 3.61 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 0.00 104 D 8.66 4.68 0.00 2.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.75 0.00 3.23 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.41 4.00 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 1.22 0.00 0.00 107 G 9.29 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 0.00 108 T 7.04 4.60 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 1.26 0.00 0.00 109 K 8.26 4.43 0.00 1.82 1.70 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 110 R 8.51 4.52 0.00 1.97 1.91 0.00 3.09 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 111 S 9.04 4.95 0.00 3.92 4.05 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 0.00 0.00 0.00 112 C 8.76 5.53 0.00 3.04 3.01 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 0.00 0.00 0.00 113 R 8.87 4.88 0.00 1.89 1.93 0.00 3.12 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 114 C 8.58 5.20 0.00 2.95 3.01 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 0.00 0.00 0.00 115 H 9.10 4.58 0.00 2.76 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.37 4.11 0.00 1.99 1.91 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 2.34 2.36 0.00 117 G 9.91 3.99 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 0.00 118 Y 7.67 5.41 0.00 2.88 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 0.00 119 S 9.25 4.90 0.00 3.83 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 0.00 120 L 8.45 4.58 0.00 1.68 1.62 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.29 4.38 0.00 1.80 1.76 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.85 3.96 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 0.00 123 D 8.16 4.33 0.00 2.91 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 0.00 124 G 8.32 3.96 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 0.00 0.00 0.00 125 V 7.63 4.36 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 0.76 0.00 0.00 1.01 0.00 0.00 126 S 8.83 4.95 0.00 3.90 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 0.00 127 C 8.95 5.54 0.00 2.80 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 0.00 128 T 8.91 5.00 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 1.28 0.00 0.00 129 P 0.00 4.55 0.00 2.02 1.53 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 130 T 8.45 4.53 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 131 V 7.20 4.49 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 0.69 0.00 0.00 0.81 0.00 0.00 132 E 8.75 3.82 0.00 1.74 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 0.00 1.47 1.92 0.00 133 Y 7.29 4.75 0.00 3.00 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 0.00 134 P 0.00 4.35 0.00 1.54 1.41 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 135 C 8.43 4.21 0.00 3.13 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 0.00 136 G 8.89 3.96 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 0.00 0.00 0.00 137 K 7.92 4.63 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.46 7.81 138 I 7.98 4.33 1.89 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 1.49 1.14 0.93 0.00 0.00 139 P 0.00 4.75 0.00 2.34 2.39 0.00 3.46 0.00 0.00 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 140 I 7.81 3.84 1.89 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 1.43 0.61 0.93 0.00 0.00 141 L 7.17 4.34 0.00 1.85 1.67 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.07 4.11 0.00 2.15 2.13 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 2.67 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.