NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3514 8.4293 121.4711 56.0833 29.9899 174.6790 4 E 4.6495 8.3757 123.2512 52.7227 32.7292 171.3714 5 E 4.6411 8.7777 119.1582 53.9637 33.4896 176.7065 6 A 4.1138 8.5179 124.3137 52.0066 19.1051 176.9102 7 E 4.0480 8.4716 121.3040 56.0156 30.3323 176.6868 8 Q 4.2261 8.5374 125.2865 55.8274 29.4409 175.1874 9 N 5.0876 8.2925 118.9016 51.3054 43.1789 175.3340 10 L 3.8172 8.4966 121.7870 58.3851 42.2707 179.3360 11 S 4.4297 8.1315 113.6309 60.7108 62.9551 175.3253 12 E 4.1652 7.6753 119.8529 57.7416 29.5782 177.2805 13 L 4.3698 7.8285 117.7190 56.7868 42.1097 177.6631 14 S 4.7706 7.6893 114.7271 58.7007 63.7138 175.4021 15 G 3.8669 8.3135 110.0746 44.1189 0.0000 169.5159 16 P 5.1358 0.0000 0.0000 62.6935 32.3353 175.6050 17 W 5.4579 9.0655 123.4718 54.8977 32.9299 174.9891 18 R 5.0537 9.5856 120.9689 54.7419 33.7528 174.9499 19 T 4.1788 8.8088 119.1702 63.9151 68.9008 173.7759 20 V 3.9771 8.3670 125.6280 64.1961 32.9722 175.3201 21 Y 4.9943 7.2417 116.4805 56.3301 42.5485 173.9226 22 I 4.9105 8.4255 122.2711 59.6399 41.0205 174.7837 23 G 4.2636 9.3115 114.0299 44.5101 0.0000 171.9850 24 S 5.2117 8.3011 115.6943 56.4870 65.1716 174.1268 25 T 4.0458 8.5447 115.8420 63.3764 69.8556 173.8592 26 N 4.7996 8.0591 121.1332 50.5802 39.6241 172.5632 27 P 4.2993 0.0000 0.0000 66.2137 30.9963 178.0257 28 E 4.0423 8.3330 117.5766 59.1256 29.3228 179.3800 29 K 4.3367 8.2620 118.6270 58.2035 31.7996 178.2540 30 I 4.4490 7.2776 109.6528 60.4804 38.1037 175.5204 31 Q 4.3525 7.6390 119.9270 54.6897 29.6381 174.7011 32 E 4.0257 8.5063 119.4477 58.4420 29.6747 176.7569 33 N 4.6113 8.3463 120.3431 53.7896 36.3576 174.5016 34 G 3.9692 8.2683 109.1791 44.0493 0.0000 173.6964 35 P 4.2955 0.0000 0.0000 64.6727 31.4609 177.0760 36 F 4.7647 8.2442 116.8109 57.3878 39.4356 176.9108 37 R 4.3866 7.6152 123.8837 55.1039 28.1215 174.7325 38 T 4.9247 7.6814 109.3255 60.6276 70.9275 175.2016 39 Y 4.5919 9.5398 125.1457 56.3787 39.0419 175.3037 40 F 4.9072 9.4695 124.2420 58.2413 39.7319 174.9915 41 R 4.7122 9.8036 119.9457 57.6084 32.6978 175.6605 42 E 5.3931 8.0260 116.0453 55.1345 34.4221 173.8714 43 L 4.9031 9.1390 121.4242 52.8444 45.9508 175.9269 44 V 4.5472 8.0834 121.8773 61.2919 34.2544 174.0879 45 F 5.0076 9.2569 127.5753 56.2480 40.7985 175.5061 46 D 4.6826 8.9802 121.9426 52.7242 43.2044 175.8544 47 D 4.3887 8.4580 123.7084 57.6165 41.2295 178.0437 48 E 4.1050 8.4441 117.7757 59.3179 29.5629 178.1828 49 K 4.0792 8.4100 116.0255 56.9297 32.8530 176.8483 50 G 3.8545 8.3519 107.3774 46.8404 0.0000 172.6803 51 T 5.3342 7.5820 107.0410 59.7178 73.5207 173.4956 52 V 4.4947 8.5517 121.3113 61.2195 35.0059 173.5679 53 D 5.0564 8.6573 128.0410 52.6654 43.1796 175.2017 54 F 4.5752 9.0059 122.6149 55.7867 41.5571 174.4271 55 Y 4.9759 8.5225 120.9799 56.2030 40.9898 174.6549 56 F 5.4276 8.3346 118.7261 55.7257 42.4414 173.2372 57 S 5.6392 9.6838 114.4046 56.9992 66.5756 174.0715 58 V 5.1098 9.0000 121.5878 60.3017 34.9542 173.5577 59 K 4.0963 8.2330 124.7661 55.5110 33.7173 175.5977 60 R 4.4916 8.5608 127.2981 55.8307 33.0546 174.5172 61 D 4.1465 9.3600 126.3582 55.6616 38.6363 174.7166 62 G 3.8824 8.4537 103.2474 45.7703 0.0000 173.5129 63 K 4.6645 7.5818 118.8390 53.8881 35.9603 175.6953 64 W 4.7562 8.9621 124.7005 56.6182 29.9785 175.7310 65 K 4.7977 9.3870 123.7968 54.6888 35.2286 174.6956 66 N 5.3270 8.7693 120.9479 51.9440 40.1396 174.5997 67 V 4.2920 8.7465 123.3669 61.0305 35.1860 173.4655 68 H 4.9726 8.4514 125.3594 54.1628 32.3426 172.7613 69 V 4.2000 8.1086 124.6949 60.7950 34.8943 173.6798 70 K 4.7693 8.5829 128.4548 54.6909 33.7954 174.7393 71 A 5.0456 9.0528 129.8573 50.6473 21.8122 175.2833 72 T 5.1072 8.6578 117.6566 61.3891 71.4987 173.9478 73 K 3.7884 9.0202 128.3122 56.3443 33.0931 176.1792 74 Q 4.6002 8.8855 125.2737 53.7882 31.3309 176.5560 75 D 4.2990 8.5764 118.7700 57.7293 40.7648 177.7761 76 D 4.4778 7.9557 115.0401 53.7364 39.4073 177.1080 77 G 3.8869 8.2465 109.5471 45.5936 0.0000 173.9593 78 T 4.5726 7.9744 110.3828 61.4145 71.0933 173.1878 79 Y 5.3326 9.5027 119.2628 56.3637 41.5927 175.4408 80 V 5.1310 8.8021 114.6594 59.9313 35.4630 174.6857 81 A 4.8244 8.7584 124.1137 50.8150 23.1450 174.7518 82 D 5.1315 8.5350 121.3224 53.3744 42.3186 175.6777 83 Y 4.3644 9.0803 125.3019 57.8840 41.7943 173.9908 84 E 3.4298 9.6169 129.6522 57.5573 27.5744 172.7315 85 G 3.8219 7.7537 103.9592 43.9753 0.0000 171.7890 86 Q 5.0175 8.3459 116.5668 54.8050 31.2130 174.6767 87 N 5.6116 9.0441 118.1855 51.5503 43.2311 173.6194 88 V 4.5270 8.7560 122.2826 61.3364 34.2427 173.7347 89 F 5.2549 9.6062 131.7854 56.5673 41.4835 174.2653 90 K 4.8565 8.6509 127.0997 54.5893 35.1634 174.7886 91 I 4.2465 8.4952 128.6169 60.7584 36.9862 175.8374 92 V 3.8893 8.6943 129.1134 65.4416 32.2955 176.5836 93 S 4.7430 7.8007 113.8503 56.9093 65.9243 172.8324 94 L 5.1921 8.4529 128.2150 53.8312 45.1793 174.8900 95 S 4.6680 9.0651 119.4347 56.8177 66.2650 174.6035 96 R 4.0865 8.7272 120.0785 58.7709 29.8587 176.6894 97 T 4.4111 7.9719 105.8489 61.4513 70.7245 172.8678 98 H 5.7505 8.0816 115.6716 54.3857 32.8567 172.1539 99 L 5.1992 9.3585 120.5398 53.6894 45.7648 174.7167 100 V 5.0226 9.1756 126.0711 61.2022 34.1788 174.0812 101 A 5.0841 9.0394 128.6866 50.3034 23.2806 173.6884 102 H 5.2690 8.9328 119.2046 54.2997 32.9408 172.1296 103 N 5.3796 9.2130 124.0418 51.7866 42.4451 172.6552 104 I 4.8035 8.4695 126.1514 59.4844 40.0169 174.0336 105 N 5.4586 9.1693 125.5195 51.6634 42.5393 173.0735 106 V 4.9020 8.6051 125.3767 61.0728 34.4850 175.2637 107 D 5.1427 8.8417 128.9865 52.2870 40.6146 176.9942 108 K 4.1449 8.4779 116.2328 58.6836 32.1984 176.8137 109 H 4.7405 8.8625 115.8255 55.5275 29.7576 174.7220 110 G 3.8880 8.3727 107.9313 45.1524 0.0000 173.0218 111 Q 4.2922 8.0706 121.7420 55.4725 30.3589 174.1728 112 T 5.0261 8.4762 121.3445 61.0945 69.0188 173.7078 113 T 4.6781 9.0194 124.8377 61.7566 72.9878 172.4825 114 E 5.0002 9.0412 125.3554 54.6142 31.9946 175.0840 115 L 5.3405 9.0683 124.7788 53.0320 45.4663 175.6484 116 T 5.1997 8.7658 113.4914 60.9849 72.4519 173.1945 *117 E 5.0201 8.8372 119.3218 55.2522 34.9876 174.3324 118 L 5.1279 8.5395 123.4270 53.4595 45.0232 175.3835 119 F 5.5344 9.5677 124.8284 55.6504 43.2735 174.5083 120 V 5.1468 9.1844 120.0909 60.0005 34.7839 174.2904 121 K 3.7959 7.8544 123.8938 54.8340 33.4548 176.0974 122 L 4.3168 8.1851 129.6158 53.7936 42.0101 174.9721 123 N 4.5698 8.3571 123.6964 51.7406 39.7083 175.1781 124 V 4.2222 8.0831 122.5445 60.7350 33.2925 175.4074 125 E 4.2630 8.4678 127.3540 55.8126 31.5016 177.3825 126 D 4.4431 8.6952 123.0467 57.7142 41.1953 179.2177 127 E 4.0856 8.1891 117.3017 59.4250 29.6417 178.6868 128 D 4.4388 8.0595 119.5477 56.9900 40.9477 178.4528 129 L 4.0703 7.8702 119.5126 57.6534 41.5396 179.0898 130 E 4.1465 8.4019 119.4408 59.2679 29.6231 179.0050 131 K 3.9986 8.0701 118.2567 59.2954 32.0099 179.1102 132 F 4.0575 8.1440 120.6685 61.2421 39.3574 177.3557 133 W 4.0820 8.2710 118.6395 59.3687 28.7418 178.5837 134 K 4.4634 8.4918 121.5916 58.9632 31.5415 178.6812 135 L 3.9111 7.9297 120.6410 58.4716 41.9570 179.1150 136 T 3.7289 7.8379 116.2208 66.3367 68.2365 176.4952 137 E 4.0835 8.2484 119.6419 59.2785 29.5917 178.7598 138 D 4.4291 8.1001 119.1886 56.6813 40.8606 177.8281 139 K 4.4428 7.5783 116.7295 55.0328 32.4454 176.6344 140 G 3.9505 8.0624 107.3040 46.5795 0.0000 174.0510 141 I 4.2694 7.5507 119.9430 59.2651 38.5714 175.9425 142 D 4.5522 8.4952 124.7882 53.7874 41.7684 177.1886 143 K 4.2205 8.6618 124.9162 58.8716 32.1887 177.9954 144 K 4.3217 8.1159 116.1905 57.7862 33.0053 176.8454 145 N 4.9623 8.2211 117.4775 53.2538 38.9255 174.6295 146 V 4.5380 7.8493 117.1047 60.9955 34.2354 174.5376 147 V 4.2244 8.4739 125.9891 61.0392 33.1133 174.6546 148 N 4.7697 8.3061 125.0015 52.3163 38.6346 175.2136 149 F 3.8736 8.8187 126.1001 59.9490 39.2869 177.5104 150 L 4.0269 7.9688 119.9003 58.0851 41.7638 178.4677 151 E 4.1866 8.0814 116.8035 58.5402 29.9747 178.5474 152 N 4.4658 7.5294 116.8973 56.4387 38.4817 177.2712 153 E 3.9813 7.9935 118.4585 59.3435 29.6010 178.7505 154 N 4.5724 7.9070 114.5781 54.6935 40.0533 175.0751 155 H 4.9091 7.5645 116.1265 53.6292 29.5931 171.3068 156 P 4.4552 0.0000 0.0000 63.6515 33.3905 174.5727 157 H 4.4413 8.0434 114.7144 55.9790 30.7203 172.4441 *158 P 4.2054 0.0000 0.0000 62.5498 31.2936 172.3382 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 3 E 8.43 4.35 0.00 1.95 1.97 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 2.19 2.31 0.00 4 E 8.38 4.65 0.00 2.13 1.85 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 2.17 2.31 0.00 5 E 8.78 4.64 0.00 2.02 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 2.16 2.33 0.00 6 A 8.52 4.11 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 7 E 8.47 4.05 0.00 1.95 1.87 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 2.30 2.34 0.00 8 Q 8.54 4.23 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 9 N 8.29 5.09 0.00 2.69 2.64 0.00 0.00 6.76 6.74 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 10 L 8.50 3.82 0.00 1.71 2.01 0.74 1.08 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 11 S 8.13 4.43 0.00 3.97 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 12 E 7.68 4.17 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 2.33 2.34 0.00 13 L 7.83 4.37 0.00 1.46 1.54 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.69 4.77 0.00 4.10 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 15 G 8.31 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 0.00 0.00 0.00 16 P 0.00 5.14 0.00 2.14 2.44 0.00 3.64 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 2.18 1.98 0.00 17 W 9.07 5.46 0.00 3.33 3.40 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 0.00 0.00 0.00 0.00 18 R 9.59 5.05 0.00 1.73 1.88 0.00 3.41 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 19 T 8.81 4.18 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 0.80 0.00 0.00 20 V 8.37 3.98 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 0.32 0.00 0.00 0.87 0.00 0.00 21 Y 7.24 4.99 0.00 2.75 2.52 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 22 I 8.43 4.91 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 1.07 0.35 0.96 0.00 0.00 23 G 9.31 4.26 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 0.00 24 S 8.30 5.21 0.00 3.79 3.66 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 25 T 8.54 4.05 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 26 N 8.06 4.80 0.00 2.73 2.71 0.00 0.00 6.75 7.15 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 27 P 0.00 4.30 0.00 2.30 2.31 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 28 E 8.33 4.04 0.00 2.22 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 0.00 2.34 2.36 0.00 29 K 8.26 4.34 0.00 1.98 2.05 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.61 7.81 30 I 7.28 4.45 1.93 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 1.33 0.69 1.04 0.00 0.00 31 Q 7.64 4.35 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 32 E 8.51 4.03 0.00 1.94 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 2.26 2.31 0.00 33 N 8.35 4.61 0.00 2.91 2.95 0.00 0.00 7.24 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 34 G 8.27 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 0.00 0.00 0.00 35 P 0.00 4.30 0.00 1.76 2.05 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 36 F 8.24 4.76 0.00 3.23 3.12 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 37 R 7.62 4.39 0.00 1.97 1.98 0.00 3.35 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 38 T 7.68 4.92 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 0.90 0.00 0.00 39 Y 9.54 4.59 0.00 3.21 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 40 F 9.47 4.91 0.00 3.14 3.33 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 41 R 9.80 4.71 0.00 1.93 2.05 0.00 3.18 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 42 E 8.03 5.39 0.00 1.89 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 0.00 2.33 2.32 0.00 43 L 9.14 4.90 0.00 1.15 0.57 -0.30 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.08 4.55 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 1.08 0.00 0.00 1.01 0.00 0.00 45 F 9.26 5.01 0.00 3.00 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 46 D 8.98 4.68 0.00 2.72 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 47 D 8.46 4.39 0.00 2.82 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 48 E 8.44 4.10 0.00 1.94 2.15 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 2.31 2.36 0.00 49 K 8.41 4.08 0.00 1.84 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.40 7.81 50 G 8.35 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 51 T 7.58 5.33 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 1.24 0.00 0.00 52 V 8.55 4.49 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 -0.51 0.00 0.00 0.41 0.00 0.00 53 D 8.66 5.06 0.00 2.61 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 0.00 0.00 0.00 0.00 54 F 9.01 4.58 0.00 2.72 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 55 Y 8.52 4.98 0.00 3.02 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 56 F 8.33 5.43 0.00 3.39 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 57 S 9.68 5.64 0.00 3.96 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 0.00 58 V 9.00 5.11 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 0.89 0.00 0.00 1.11 0.00 0.00 59 K 8.23 4.10 0.00 0.79 1.14 0.00 0.89 0.00 0.00 1.32 0.00 0.00 2.56 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.03 0.49 7.81 60 R 8.56 4.49 0.00 1.72 1.67 0.00 3.43 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 61 D 9.36 4.15 0.00 2.87 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 62 G 8.45 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 63 K 7.58 4.66 0.00 1.79 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 64 W 8.96 4.76 0.00 3.21 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 65 K 9.39 4.80 0.00 1.80 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.55 7.81 66 N 8.77 5.33 0.00 2.62 2.75 0.00 0.00 6.68 7.68 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 67 V 8.75 4.29 0.76 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 0.65 0.00 0.00 0.87 0.00 0.00 68 H 8.45 4.97 0.00 2.91 3.00 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.11 4.20 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 0.77 0.00 0.00 0.79 0.00 0.00 70 K 8.58 4.77 0.00 1.67 1.61 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 71 A 9.05 5.05 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 72 T 8.66 5.11 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 1.21 0.00 0.00 73 K 9.02 3.79 0.00 1.13 1.53 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.17 0.70 7.81 74 Q 8.89 4.60 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 75 D 8.58 4.30 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.48 0.00 2.76 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 77 G 8.25 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 78 T 7.97 4.57 4.47 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 1.25 0.00 0.00 79 Y 9.50 5.33 0.00 3.13 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 80 V 8.80 5.13 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 0.75 0.00 0.00 1.04 0.00 0.00 81 A 8.76 4.82 1.18 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 0.00 0.00 82 D 8.54 5.13 0.00 2.70 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 83 Y 9.08 4.36 0.00 2.88 2.84 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 84 E 9.62 3.43 0.00 1.56 1.72 0.00 0.00 0.00 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 1.47 0.00 85 G 7.75 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 86 Q 8.35 5.02 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 87 N 9.04 5.61 0.00 2.84 2.81 0.00 0.00 6.35 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 88 V 8.76 4.53 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 0.99 0.00 0.00 0.97 0.00 0.00 89 F 9.61 5.25 0.00 3.07 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 90 K 8.65 4.86 0.00 1.82 1.65 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 91 I 8.50 4.25 2.00 0.00 0.00 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 1.37 0.90 0.97 0.00 0.00 92 V 8.69 3.89 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 0.70 0.00 0.00 0.91 0.00 0.00 93 S 7.80 4.74 0.00 3.97 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 94 L 8.45 5.19 0.00 1.64 1.48 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.07 4.67 0.00 4.08 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 96 R 8.73 4.09 0.00 1.80 2.03 0.00 3.17 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 97 T 7.97 4.41 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 98 H 8.08 5.75 0.00 3.39 3.48 0.00 5.23 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.36 5.20 0.00 1.71 1.73 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.18 5.02 2.15 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 1.02 0.00 0.00 1.06 0.00 0.00 101 A 9.04 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.93 5.27 0.00 3.06 3.03 0.00 5.55 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 0.00 103 N 9.21 5.38 0.00 2.82 2.53 0.00 0.00 6.66 7.81 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 0.00 104 I 8.47 4.80 1.84 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 1.00 0.39 0.89 0.00 0.00 105 N 9.17 5.46 0.00 2.79 2.38 0.00 0.00 6.21 7.39 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 0.00 106 V 8.61 4.90 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 0.95 0.00 0.00 0.93 0.00 0.00 107 D 8.84 5.14 0.00 2.95 2.86 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 0.00 108 K 8.48 4.14 0.00 1.75 1.89 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.29 7.81 109 H 8.86 4.74 0.00 3.29 3.30 0.00 5.67 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 0.00 110 G 8.37 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 0.00 111 Q 8.07 4.29 0.00 2.17 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 112 T 8.48 5.03 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 0.00 113 T 9.02 4.68 4.10 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 0.00 0.00 1.10 0.00 0.00 114 E 9.04 5.00 0.00 1.88 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 0.00 2.20 2.24 0.00 115 L 9.07 5.34 0.00 1.40 1.49 0.23 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.77 5.20 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 1.17 0.00 0.00 *117 E 8.84 5.02 0.00 1.65 1.78 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 2.14 2.13 0.00 118 L 8.54 5.13 0.00 1.69 1.50 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.57 5.53 0.00 3.27 3.30 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 0.00 120 V 9.18 5.15 2.15 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 0.84 0.00 0.00 0.93 0.00 0.00 121 K 7.85 3.80 0.00 0.79 0.97 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.87 0.52 7.81 122 L 8.19 4.32 0.00 1.61 1.51 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.36 4.57 0.00 2.66 2.67 0.00 0.00 6.89 7.68 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 0.00 124 V 8.08 4.22 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 0.81 0.00 0.00 0.88 0.00 0.00 125 E 8.47 4.26 0.00 2.22 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 2.39 2.46 0.00 126 D 8.70 4.44 0.00 2.74 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 0.00 127 E 8.19 4.09 0.00 2.21 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 2.37 2.41 0.00 128 D 8.06 4.44 0.00 2.85 2.74 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 0.00 129 L 7.87 4.07 0.00 2.05 1.97 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.40 4.15 0.00 2.19 2.17 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 2.36 2.46 0.00 131 K 8.07 4.00 0.00 2.08 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 132 F 8.14 4.06 0.00 3.00 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 0.00 133 W 8.27 4.08 0.00 3.45 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 0.00 134 K 8.49 4.46 0.00 1.94 2.01 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.35 7.81 135 L 7.93 3.91 0.00 1.81 1.74 0.89 0.65 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 0.00 136 T 7.84 3.73 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 1.20 0.00 0.00 137 E 8.25 4.08 0.00 2.22 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 2.54 2.34 0.00 138 D 8.10 4.43 0.00 2.84 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 0.00 139 K 7.58 4.44 0.00 1.67 1.81 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.56 7.81 140 G 8.06 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 0.00 0.00 0.00 141 I 7.55 4.27 2.04 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 1.20 0.63 0.97 0.00 0.00 142 D 8.50 4.55 0.00 2.70 2.56 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 0.00 143 K 8.66 4.22 0.00 1.75 1.82 0.00 1.60 0.00 0.00 1.33 0.00 0.00 2.82 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.37 7.81 144 K 8.12 4.32 0.00 1.91 1.94 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.70 7.81 145 N 8.22 4.96 0.00 2.98 2.92 0.00 0.00 6.64 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 0.00 146 V 7.85 4.54 2.56 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 1.01 0.00 0.00 1.23 0.00 0.00 147 V 8.47 4.22 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 0.28 0.00 0.00 0.89 0.00 0.00 148 N 8.31 4.77 0.00 2.83 2.70 0.00 0.00 7.19 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 0.00 149 F 8.82 3.87 0.00 3.07 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 0.00 150 L 7.97 4.03 0.00 1.76 1.67 0.92 0.99 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 0.00 151 E 8.08 4.19 0.00 1.99 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 0.00 2.50 2.36 0.00 152 N 7.53 4.47 0.00 2.66 2.77 0.00 0.00 6.84 7.54 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 0.00 153 E 7.99 3.98 0.00 1.96 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 2.33 2.38 0.00 154 N 7.91 4.57 0.00 2.69 2.78 0.00 0.00 6.79 7.44 0.00 0.00 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 H 7.56 4.91 0.00 3.11 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.46 0.00 2.01 1.96 0.00 3.78 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 2.13 1.86 0.00 157 H 8.04 4.44 0.00 3.21 3.32 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.