NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4261 8.2649 122.4699 51.4537 19.8368 176.6463 3 V 3.7725 8.5987 115.3935 61.5554 32.6703 174.0113 4 D 4.5614 9.8309 125.0689 53.0022 44.1963 175.0457 *6 F 4.8405 8.2461 116.7048 57.6039 40.9281 174.3105 7 I 4.7788 8.4937 121.1647 59.0687 41.3420 173.6220 8 K 4.6528 8.8379 130.9820 54.7614 34.3295 174.6893 9 I 4.3003 8.0974 128.1043 59.0039 39.4944 175.6818 10 G 3.6800 8.5667 119.2341 47.3766 0.0000 173.1208 11 D 4.8555 8.6306 122.6110 53.6094 41.1659 176.1146 12 V 3.7023 7.5710 119.9338 62.8543 31.9193 175.2977 13 K 4.5524 8.6201 126.6231 55.5065 33.5718 176.4253 14 G 4.1893 8.7162 114.0495 44.6440 0.0000 174.0964 15 E 4.8693 8.3117 121.4666 55.9912 30.7270 176.6717 16 S 4.4367 8.1838 115.4183 58.1572 63.2959 174.8694 17 K 4.5884 8.5650 124.3023 55.9932 32.6591 175.9541 18 D 4.4479 7.8326 119.7364 54.0028 41.6661 177.2436 19 K 3.8916 8.6541 126.7528 59.7958 32.5760 178.1102 20 T 3.9877 7.9203 113.8543 66.0926 68.9165 175.7287 21 H 4.5935 7.7667 117.2265 54.7953 29.1424 174.4153 22 A 4.2749 7.1586 121.6427 54.2294 18.5515 178.8295 23 E 4.3819 8.9924 119.2759 57.0248 28.2228 174.6587 24 E 4.5745 7.8233 119.7517 55.6374 32.6312 174.4720 25 I 4.8242 8.1033 120.6171 60.0616 39.1106 175.4501 26 D 4.7228 8.8716 127.0798 54.4693 41.9413 175.1753 27 V 4.6253 8.1520 123.8605 61.8163 32.0315 175.3545 28 L 4.4269 9.1079 128.2477 56.7242 42.7279 176.7325 29 A 4.8247 7.8646 117.7094 51.0477 22.3639 175.1935 30 W 5.8901 8.4162 115.7049 55.7536 31.3716 173.9251 31 S 4.5410 9.6852 114.8676 57.3270 66.0652 172.6536 32 W 5.3405 8.3414 129.5809 57.6937 33.7540 173.8637 33 G 3.5073 7.1697 110.3931 45.0281 0.0000 172.2831 *35 S 4.3985 8.0591 112.7624 58.1928 64.8741 172.4324 36 Q 5.0182 8.3064 121.2685 54.4932 30.8719 175.1146 37 S 4.4271 8.8714 120.7516 58.9430 63.8217 174.8522 38 G 3.8364 8.2536 108.5092 47.3516 0.0000 173.3720 39 S 4.4195 8.3027 114.5767 56.7061 65.6123 173.3542 *41 H 4.4696 8.6594 111.5878 55.9477 30.0964 172.6864 *43 G 3.6223 7.7743 107.9607 46.2980 0.0000 174.2059 44 G 3.7659 9.1297 105.7429 45.7783 0.0000 174.6550 45 G 3.8895 8.5308 107.3262 44.8553 0.0000 173.7045 46 G 3.9023 7.4735 108.5782 44.6832 0.0000 174.1765 47 G 3.7968 8.7205 104.8223 45.7487 0.0000 173.4592 48 A 4.3338 7.9304 121.4211 52.0396 19.1630 178.4619 49 G 4.2018 8.1836 108.6364 44.0725 0.0000 171.6359 50 K 4.8957 8.3401 117.3457 54.8753 36.3224 176.1812 51 V 4.3058 8.3998 121.0245 61.3828 32.8293 174.7883 52 N 4.9009 9.0832 122.2064 51.9795 40.7571 173.5262 53 V 4.2617 8.3740 126.6421 61.5900 32.7558 175.6190 54 Q 4.4553 8.7531 127.3035 55.3381 29.6582 175.7542 55 D 4.7177 8.7446 120.6362 54.8319 42.0789 175.5931 56 L 5.0270 9.1963 123.2767 54.3997 43.8789 175.3371 57 S 5.5856 9.3637 122.8504 57.0649 65.3991 173.2222 58 F 5.5588 9.1014 118.1635 55.8854 41.9589 173.1142 59 T 5.1268 9.2452 117.0821 61.8009 71.1252 173.6918 60 K 5.0687 8.7135 123.5439 55.2272 36.8186 175.0309 61 Y 4.7744 8.4107 118.2307 57.6367 38.8102 175.9261 62 I 3.9522 8.5789 124.8306 62.1326 37.9279 175.3692 63 D 4.6657 8.7429 125.7299 51.3140 41.8858 175.5992 64 K 4.1485 8.7541 118.6942 59.6441 32.5905 178.4483 65 S 4.3417 8.4473 115.8279 60.8642 62.9096 176.1795 66 T 3.9020 7.6675 119.4287 66.6192 68.3607 174.1830 67 P 4.4275 0.0000 0.0000 65.5009 31.4319 178.2045 68 N 4.6544 8.0904 114.3724 55.5348 40.1223 176.9482 69 L 4.3847 7.9808 121.6339 54.8470 37.9836 177.0663 *72 A 4.1842 7.7850 125.1107 52.1510 21.0418 178.9351 73 C 4.5399 8.1650 113.9701 62.2479 31.7971 175.2291 74 S 4.3137 8.1250 114.1130 61.5209 62.5811 175.8064 75 S 4.1476 8.0320 113.4066 59.1401 63.2234 175.2237 76 G 3.8906 8.1830 107.8936 45.5570 0.0000 173.2016 77 K 4.1541 7.5593 119.6989 55.8403 32.7095 176.3039 78 H 5.0474 8.2819 118.9194 54.6733 30.8037 173.8893 79 Y 4.6289 8.8701 117.6747 56.1835 39.6911 175.0304 80 P 4.4383 0.0000 0.0000 65.7897 32.5978 176.0290 81 Q 5.1317 7.9092 117.7263 54.8318 32.7136 173.1023 82 A 5.0709 8.9864 125.3006 50.0743 23.3094 175.0764 83 K 4.6014 8.8573 120.9147 54.6979 35.7601 174.6714 84 L 4.6134 8.6575 130.6443 53.9154 43.6038 174.9853 85 T 4.8086 8.6290 123.5603 61.7280 70.5991 173.6016 86 I 4.5257 8.5634 127.5108 59.3976 39.8564 174.5596 87 R 5.0623 9.1182 127.5199 54.0066 32.9958 174.9710 88 K 4.4047 9.0679 125.3758 56.5803 32.7720 176.7658 89 A 4.0886 8.6422 124.9274 53.2820 18.5669 176.7958 90 G 3.4825 9.9281 108.5814 44.5173 0.0000 172.6891 91 G 3.8586 8.3928 105.8507 43.4925 0.0000 174.2069 92 E 4.0220 8.6992 116.6777 58.7952 29.5933 177.3478 93 N 4.6967 7.9518 114.4181 53.1113 39.1558 175.1092 94 Q 4.2171 7.6930 117.9162 55.3605 29.6063 176.0437 95 V 3.8096 8.1290 119.7677 62.9396 32.1221 175.6181 96 E 4.8965 8.5417 127.7351 55.8535 28.0806 175.3795 97 Y 4.2818 8.2449 121.1673 57.8866 40.2334 175.0590 98 L 5.0043 7.1425 122.3085 53.4364 45.5598 174.9252 99 I 4.8462 8.7338 126.8559 59.5012 40.9986 174.4083 100 I 4.7093 8.5470 128.3053 59.7820 39.7648 174.6136 101 T 4.7878 8.7166 124.7534 61.6190 70.9130 173.4206 102 L 4.8547 8.8878 126.6524 52.7591 44.7113 175.6378 103 K 4.7777 8.5740 121.7119 55.6107 35.8208 174.1684 104 E 3.9479 9.1447 125.2329 56.5458 26.7303 171.5570 105 V 4.9966 9.0650 120.8736 60.8243 34.3459 173.6277 106 L 4.9825 9.2144 130.3511 53.2967 44.7399 175.5846 107 V 4.5290 8.4883 126.1070 62.5195 31.4427 176.1634 108 S 4.5643 9.1670 124.7864 60.5363 64.0071 174.3639 109 S 4.7009 7.6552 113.1786 57.4509 66.5024 174.1598 110 V 4.8367 8.2671 120.2277 61.4380 34.4914 174.4987 111 S 4.6776 9.4760 123.9196 57.1623 65.7876 173.0392 112 T 4.7831 9.6574 118.5115 59.8507 71.0256 172.9872 113 G 3.8447 7.8242 108.6856 46.2236 0.0000 171.5405 114 G 4.1286 7.8358 107.5948 45.6203 0.0000 172.7015 115 S 4.3256 8.4501 111.0185 58.7709 65.4347 173.5825 116 G 3.8866 9.8089 109.0010 47.5651 0.0000 171.0788 117 G 4.2363 9.1324 106.5357 45.8643 0.0000 173.9585 118 E 4.2278 7.8941 120.7669 55.6411 29.8223 177.4761 119 D 4.4263 8.7375 123.8856 54.7167 40.2921 176.6442 120 R 4.5173 7.7050 117.8021 53.8882 32.7158 174.9278 121 L 4.7793 8.7263 123.1922 54.3222 43.0511 176.1607 122 T 5.3489 8.4093 111.2806 60.2060 72.2397 172.4836 123 E 4.8659 9.0995 118.8749 55.3180 33.6354 173.4427 124 N 5.2899 9.2535 118.7571 51.6025 41.3659 174.1050 125 V 4.8126 8.3529 122.7040 61.1016 35.1239 174.2146 126 T 5.3027 8.6645 116.3835 59.9040 72.1918 172.6329 127 L 5.3665 9.3400 123.3753 53.1226 45.4820 174.8352 128 N 5.3804 9.3783 122.6088 51.8734 41.5239 173.2095 129 F 6.0484 7.8056 118.2763 55.8086 40.6935 174.0262 130 A 4.3844 8.9788 122.0730 54.4915 19.7400 177.4865 131 Q 5.3258 8.2073 112.6648 54.4773 33.7848 174.6203 132 V 4.7989 8.9720 120.6417 60.0225 35.2891 173.9460 133 Q 4.8986 9.1506 124.3799 54.2464 32.3396 174.0081 134 V 4.8409 9.4743 126.3023 61.3060 34.5917 173.6605 135 D 5.4669 9.2905 128.6319 52.8198 43.4537 174.4036 136 Y 5.0816 9.1066 125.8122 55.8203 41.2538 174.0721 137 Q 4.6461 8.2073 129.0716 53.7237 29.8815 173.4169 138 P 4.6822 0.0000 0.0000 62.6477 32.8609 175.8289 139 Q 4.9461 8.3455 119.4638 53.8440 32.6466 175.5909 140 K 4.2750 8.9492 120.5760 55.6403 32.9496 178.1152 141 A 4.0049 8.5764 122.8934 55.4166 18.1123 178.3701 142 D 4.4943 7.9820 112.4147 53.8679 40.0176 177.2445 143 G 3.9005 8.0806 108.8455 45.1445 0.0000 174.0573 144 A 4.1916 7.9209 122.5783 51.4253 19.0379 177.1482 145 K 4.2721 8.4535 119.6634 56.6235 32.5635 176.6232 146 D 4.6131 8.7269 123.8246 52.9016 41.6699 176.8463 147 G 3.8771 8.4637 118.1835 44.9015 0.0000 171.7491 148 G 3.9867 8.3649 108.2555 43.3584 0.0000 171.5613 149 P 4.6097 0.0000 0.0000 63.1560 31.9966 175.8358 150 V 4.3147 9.3196 122.5244 61.8619 32.9439 174.7595 151 K 5.2633 8.7816 126.5851 54.9029 35.3445 174.9471 152 Y 4.9387 9.0856 124.0253 56.1011 42.4037 174.0441 153 G 4.2419 8.5131 112.5754 44.1173 0.0000 170.9613 154 W 5.1959 8.8879 133.7004 55.5855 34.7281 173.3215 155 N 4.8370 8.5334 127.0033 52.3327 38.3176 175.5785 156 I 4.0463 8.6560 128.6367 64.4336 37.6544 178.1358 157 R 4.0220 8.2510 119.0857 59.2655 29.8558 177.0322 158 Q 4.2271 8.6234 113.7564 55.0067 29.4530 174.7476 159 N 4.3273 7.8353 115.6552 54.2757 37.9788 173.4243 160 V 4.0408 6.1384 107.9188 58.9368 36.7966 175.5979 161 Q 4.3661 8.0562 119.9991 56.4639 29.5021 176.0902 162 A 4.2069 8.4162 121.8186 52.3067 19.0805 175.9684 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 A 8.26 4.43 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 3 V 8.60 3.77 2.37 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 0.87 0.00 0.00 1.07 0.00 0.00 4 D 9.83 4.56 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.84 0.00 2.76 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 7 I 8.49 4.78 1.27 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.17 0.11 0.00 0.00 8 K 8.84 4.65 0.00 1.91 1.52 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.31 7.81 9 I 8.10 4.30 1.56 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.19 0.00 0.00 10 G 8.57 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 11 D 8.63 4.86 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 12 V 7.57 3.70 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 0.76 0.00 0.00 0.87 0.00 0.00 13 K 8.62 4.55 0.00 1.68 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 14 G 8.72 4.19 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 0.00 0.00 0.00 15 E 8.31 4.87 0.00 1.92 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 2.25 2.24 0.00 16 S 8.18 4.44 0.00 4.17 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 17 K 8.56 4.59 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 18 D 7.83 4.45 0.00 2.80 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 0.00 0.00 0.00 19 K 8.65 3.89 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 20 T 7.92 3.99 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 0.89 0.00 0.00 21 H 7.77 4.59 0.00 1.96 2.96 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.16 4.27 1.23 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 0.00 0.00 23 E 8.99 4.38 0.00 2.17 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 0.00 2.19 2.35 0.00 24 E 7.82 4.57 0.00 2.10 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 2.25 2.23 0.00 25 I 8.10 4.82 1.96 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 1.30 0.76 1.06 0.00 0.00 26 D 8.87 4.72 0.00 2.80 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 27 V 8.15 4.63 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 0.92 0.00 0.00 0.73 0.00 0.00 28 L 9.11 4.43 0.00 1.40 1.58 0.16 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.86 4.82 1.21 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 0.00 0.00 0.00 30 W 8.42 5.89 0.00 3.64 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 31 S 9.69 4.54 0.00 3.80 3.87 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 32 W 8.34 5.34 0.00 3.62 3.56 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 33 G 7.17 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.40 0.00 3.86 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 36 Q 8.31 5.02 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 37 S 8.87 4.43 0.00 3.91 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 38 G 8.25 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 0.00 0.00 0.00 0.00 39 S 8.30 4.42 0.00 3.75 3.69 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 *41 H 8.66 4.47 0.00 3.17 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 7.77 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 0.00 0.00 0.00 44 G 9.13 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 45 G 8.53 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 46 G 7.47 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 47 G 8.72 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 48 A 7.93 4.33 1.26 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 0.00 0.00 49 G 8.18 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.34 4.90 0.00 1.82 1.90 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.52 7.81 51 V 8.40 4.31 1.83 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 0.61 0.00 0.00 0.78 0.00 0.00 52 N 9.08 4.90 0.00 2.64 2.69 0.00 0.00 7.03 7.69 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 53 V 8.37 4.26 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 1.38 0.00 0.00 1.07 0.00 0.00 54 Q 8.75 4.46 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 55 D 8.74 4.72 0.00 2.65 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 56 L 9.20 5.03 0.00 1.72 1.67 0.44 1.04 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 57 S 9.36 5.59 0.00 3.94 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 58 F 9.10 5.56 0.00 3.29 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 59 T 9.25 5.13 4.25 0.00 0.00 0.00 0.00 0.00 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 60 K 8.71 5.07 0.00 1.92 2.15 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 61 Y 8.41 4.77 0.00 2.97 2.89 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 62 I 8.58 3.95 1.94 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 1.56 0.52 0.95 0.00 0.00 63 D 8.74 4.67 0.00 3.03 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 64 K 8.75 4.15 0.00 1.95 2.11 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.64 7.81 65 S 8.45 4.34 0.00 4.13 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 0.00 66 T 7.67 3.90 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 67 P 0.00 4.43 0.00 2.05 2.13 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 68 N 8.09 4.65 0.00 2.92 2.99 0.00 0.00 6.92 7.85 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 69 L 7.98 4.38 0.00 1.89 1.71 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.78 4.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.54 0.00 3.10 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 74 S 8.13 4.31 0.00 3.91 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 75 S 8.03 4.15 0.00 3.95 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 76 G 8.18 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 77 K 7.56 4.15 0.00 1.55 1.57 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.31 7.81 78 H 8.28 5.05 0.00 3.30 3.29 0.00 5.51 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 79 Y 8.87 4.63 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 80 P 0.00 4.44 0.00 2.11 2.13 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 81 Q 7.91 5.13 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 82 A 8.99 5.07 1.03 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 0.00 0.00 83 K 8.86 4.60 0.00 1.62 1.46 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.21 7.81 84 L 8.66 4.61 0.00 1.27 0.99 0.40 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.63 4.81 4.16 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 1.26 0.00 0.00 86 I 8.56 4.53 1.36 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.16 1.00 0.00 0.00 87 R 9.12 5.06 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 88 K 9.07 4.40 0.00 1.70 1.72 0.00 1.54 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 89 A 8.64 4.09 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 90 G 9.93 3.48 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 0.00 0.00 0.00 0.00 91 G 8.39 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 92 E 8.70 4.02 0.00 2.04 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 2.26 2.24 0.00 93 N 7.95 4.70 0.00 2.73 2.89 0.00 0.00 6.95 7.69 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 94 Q 7.69 4.22 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 95 V 8.13 3.81 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 1.01 0.00 0.00 0.95 0.00 0.00 96 E 8.54 4.90 0.00 2.00 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 2.37 2.33 0.00 97 Y 8.24 4.28 0.00 2.91 3.04 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 98 L 7.14 5.00 0.00 1.36 0.94 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.73 4.85 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.79 0.00 0.00 100 I 8.55 4.71 1.39 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 1.11 0.44 0.31 0.00 0.00 101 T 8.72 4.79 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 1.10 0.00 0.00 102 L 8.89 4.85 0.00 1.27 1.07 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.57 4.78 0.00 1.65 1.67 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.49 7.81 104 E 9.14 3.95 0.00 2.19 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 2.25 2.38 0.00 105 V 9.07 5.00 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 0.92 0.00 0.00 1.02 0.00 0.00 106 L 9.21 4.98 0.00 1.81 1.55 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.49 4.53 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 1.02 0.00 0.00 1.18 0.00 0.00 108 S 9.17 4.56 0.00 3.94 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 0.00 109 S 7.66 4.70 0.00 3.94 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 0.00 110 V 8.27 4.84 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 0.82 0.00 0.00 0.94 0.00 0.00 111 S 9.48 4.68 0.00 3.68 3.71 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 0.00 112 T 9.66 4.78 4.29 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 1.22 0.00 0.00 113 G 7.82 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 0.00 0.00 0.00 0.00 114 G 7.84 4.13 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 0.00 0.00 0.00 115 S 8.45 4.33 0.00 4.02 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 0.00 116 G 9.81 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 0.00 117 G 9.13 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 0.00 0.00 0.00 0.00 118 E 7.89 4.23 0.00 2.16 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 2.36 2.27 0.00 119 D 8.74 4.43 0.00 2.75 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 0.00 120 R 7.71 4.52 0.00 1.74 1.63 0.00 2.94 0.00 0.00 2.72 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 121 L 8.73 4.78 0.00 1.66 1.78 0.94 0.85 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 0.00 122 T 8.41 5.35 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 1.17 0.00 0.00 123 E 9.10 4.87 0.00 2.13 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 0.00 2.18 2.23 0.00 124 N 9.25 5.29 0.00 2.53 2.65 0.00 0.00 6.63 7.69 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 0.00 125 V 8.35 4.81 0.67 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 1.06 0.00 0.00 0.67 0.00 0.00 126 T 8.66 5.30 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 1.24 0.00 0.00 127 L 9.34 5.37 0.00 1.79 1.81 0.97 0.66 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 0.00 128 N 9.38 5.38 0.00 3.01 2.66 0.00 0.00 6.40 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.81 6.05 0.00 3.18 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 0.00 130 A 8.98 4.38 1.39 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 0.00 0.00 131 Q 8.21 5.33 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 132 V 8.97 4.80 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 1.26 0.00 0.00 0.65 0.00 0.00 133 Q 9.15 4.90 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 134 V 9.47 4.84 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 1.13 0.00 0.00 1.32 0.00 0.00 135 D 9.29 5.47 0.00 2.57 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 0.00 136 Y 9.11 5.08 0.00 3.16 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 0.00 137 Q 8.21 4.65 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 138 P 0.00 4.68 0.00 2.34 2.15 0.00 3.64 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 139 Q 8.35 4.95 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 140 K 8.95 4.28 0.00 1.94 1.75 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 141 A 8.58 4.00 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 0.00 142 D 7.98 4.49 0.00 2.79 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 0.00 143 G 8.08 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 0.00 144 A 7.92 4.19 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 0.00 145 K 8.45 4.27 0.00 1.76 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 146 D 8.73 4.61 0.00 2.66 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 0.00 147 G 8.46 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 0.00 0.00 0.00 0.00 148 G 8.36 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 0.00 149 P 0.00 4.61 0.00 2.13 2.10 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 150 V 9.32 4.31 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 1.11 0.00 0.00 1.07 0.00 0.00 151 K 8.78 5.26 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.45 7.81 152 Y 9.09 4.94 0.00 3.10 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 0.00 153 G 8.51 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 0.00 0.00 0.00 0.00 154 W 8.89 5.20 0.00 3.22 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 0.00 155 N 8.53 4.84 0.00 2.56 2.50 0.00 0.00 6.84 7.99 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 0.00 156 I 8.66 4.05 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.05 1.04 0.00 0.00 157 R 8.25 4.02 0.00 1.78 2.09 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 158 Q 8.62 4.23 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 159 N 7.84 4.33 0.00 2.93 2.90 0.00 0.00 6.90 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 0.00 160 V 6.14 4.04 1.81 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 0.60 0.00 0.00 0.67 0.00 0.00 161 Q 8.06 4.37 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 162 A 8.42 4.21 1.09 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.