NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6097 8.1927 115.5549 58.3424 64.7300 172.0633 3 V 4.8736 8.5586 123.3085 60.3208 34.8208 172.7091 4 I 4.6674 9.5187 126.8601 59.3221 42.1993 173.9532 5 K 4.5030 8.4987 127.0570 55.7611 33.4665 177.9105 6 I 3.6054 8.3255 122.4776 64.0112 37.6980 178.0168 7 E 3.4318 7.7189 117.3349 59.2538 29.2763 178.7207 8 K 4.0025 7.8375 119.8240 58.8065 32.5263 178.3391 9 A 3.8855 8.1456 121.4174 55.3153 18.0888 179.7074 10 L 4.2354 7.8775 115.9377 57.5940 41.7885 178.3560 11 K 4.3782 7.5535 115.2318 56.2292 32.4527 177.0844 12 L 4.1139 7.3648 119.7074 54.2844 42.0684 176.8490 13 D 4.3452 8.6379 122.2927 56.0134 41.8184 176.8415 14 K 3.9201 8.6616 122.8905 57.3357 29.7795 174.6977 15 V 4.6984 7.5420 116.2179 60.8238 33.6650 176.5170 16 I 4.3122 8.2042 122.6631 59.1586 41.1189 173.8924 17 F 5.0374 8.8763 127.7372 56.5852 40.9157 174.6548 18 V 4.6134 9.0402 123.7510 61.1218 34.0670 173.6887 19 D 3.8487 8.9815 129.4048 52.9765 42.2321 176.6116 20 V 4.0642 8.0681 119.0282 61.2285 32.8360 176.6764 21 R 4.4070 8.0260 121.9397 55.3830 30.9538 176.0378 22 T 3.9817 8.3843 109.7847 61.6816 70.5437 175.1484 23 E 4.0438 8.7265 121.5160 59.5758 29.5569 179.8862 24 G 3.6464 8.0347 105.1877 47.8379 0.0000 175.4221 25 E 3.9403 8.0144 120.7232 59.1516 29.2743 178.7500 26 Y 3.9965 7.8621 118.1987 60.9022 38.9561 177.6572 27 E 4.0555 8.4855 118.4293 59.3731 29.5973 178.7744 28 E 4.0321 7.8257 117.9403 58.2039 30.2131 176.7345 29 D 4.4465 7.2486 113.8819 53.9061 45.3803 174.4447 30 H 4.6972 8.0403 116.9299 53.8072 31.6211 173.1775 31 I 2.7331 8.4397 121.4127 60.6385 37.1099 175.4946 32 L 3.9554 7.5216 126.5680 57.2095 41.8635 176.9037 33 N 4.5532 9.1432 121.7455 53.1478 36.0304 174.3384 34 A 4.7304 8.3333 120.9231 52.0020 19.4380 177.3786 35 I 4.4286 8.6362 113.8728 59.4046 41.0434 173.6734 36 N 5.1298 8.0019 120.7215 49.8643 41.8595 171.4171 *38 P 4.4290 0.0000 0.0000 62.3153 32.2152 176.6088 39 L 3.7362 8.1743 123.5484 56.5609 41.6749 177.5934 40 F 5.2425 7.2771 114.8778 54.9287 42.0509 175.7010 41 K 4.2644 9.0778 124.0293 55.7772 33.9191 178.0788 42 N 4.2843 8.6593 118.9657 57.0547 38.8083 176.6506 43 N 4.3067 8.0321 117.7540 56.0736 37.4206 176.7894 44 E 3.4264 7.8794 120.5825 59.0309 29.5402 178.5845 45 H 3.8307 8.4430 118.5345 59.2609 29.8773 177.0461 46 N 4.2487 8.0965 118.1938 56.1405 38.3225 176.9404 47 E 3.8899 8.1797 120.6477 59.4231 29.8016 179.0477 48 V 3.6183 7.8309 118.3973 65.8037 31.4686 178.1689 49 G 3.5767 7.9891 105.4467 48.1622 0.0000 175.8535 50 T 3.9278 7.8261 117.2771 66.3363 68.8786 176.5619 51 I 3.8629 8.0001 121.8901 64.4603 36.8822 177.8231 52 Y 4.3357 7.9637 119.3948 60.5660 38.7465 177.6590 53 K 3.9592 7.7505 115.9468 57.9886 32.1156 177.2030 *55 Q 4.1075 7.9830 116.3966 55.1082 30.8034 174.5730 56 G 3.6605 7.6494 103.1247 43.9626 0.0000 174.2727 57 K 4.2369 8.6682 117.9736 59.8521 31.8440 178.2538 58 H 4.2470 8.2466 118.0702 59.4712 29.9065 176.9817 59 E 3.9700 8.2251 119.7000 59.1069 29.4348 178.9100 60 A 4.0657 8.1834 121.0375 55.1395 18.3710 179.6210 61 I 3.6942 8.1395 118.5606 64.7251 37.3448 178.6429 62 Q 4.1413 7.8722 118.5666 58.9367 28.4588 178.8391 63 K 3.9266 8.2507 120.7686 59.2163 32.1299 178.7857 64 G 3.9587 8.6368 106.4576 48.2007 0.0000 175.3701 65 F 4.1142 8.4227 120.6588 60.4726 38.7339 177.4883 66 D 4.4208 7.8423 116.7437 57.1564 40.6261 177.7047 67 Y 5.1380 7.6503 114.8419 59.0305 38.9932 177.4910 68 V 3.8482 8.2034 113.0583 62.5701 32.2440 178.2423 69 S 4.2291 8.1309 115.6371 61.7760 62.5597 176.0178 70 Y 4.3928 8.1020 117.6540 58.7575 38.1164 176.9299 71 K 4.3529 7.8310 119.7821 56.2993 33.1866 177.9765 72 L 3.9295 7.5458 120.5195 57.5868 41.4779 179.0721 73 K 3.9560 8.0427 118.9941 59.7216 32.1179 178.0775 74 D 4.3182 8.1095 117.6938 57.3256 41.0710 178.1556 75 I 3.6039 7.7962 120.3896 64.3894 37.0541 177.5967 76 Y 3.9994 8.1467 120.4359 60.8307 38.6901 178.3442 77 L 3.7189 8.2138 120.0136 57.6866 41.6257 179.5615 78 Q 3.8817 8.2326 117.9738 58.9042 28.6739 178.7042 79 A 3.8591 8.0382 121.6746 55.0066 18.1546 179.5235 80 A 3.7599 7.6144 118.8065 55.0505 18.7012 179.2571 81 E 3.9659 7.9458 117.6620 59.4346 29.6975 178.8790 82 L 4.1302 8.1180 118.9631 57.9610 41.4631 179.4192 83 A 4.2910 7.6851 120.7672 54.2161 18.3042 179.3176 84 L 4.0701 7.6635 116.9545 57.0701 41.6776 177.6703 85 N 4.7145 8.0652 113.4806 52.7621 40.7140 174.0081 86 Y 4.8071 7.9872 115.8123 56.1286 40.5683 176.1960 87 D 4.6361 8.7277 123.5628 56.3627 42.1421 176.7320 88 N 5.0865 8.1774 115.4039 51.4874 42.9610 173.4911 89 I 4.6559 8.6114 124.7942 59.6205 39.8965 174.9219 90 V 4.6437 8.4931 129.1927 61.4897 32.8394 174.5092 91 I 5.0915 8.8792 130.2948 60.1243 39.2022 174.6608 92 Y 5.2810 9.0753 124.1197 55.7568 41.9247 174.1779 93 C 5.4220 8.4421 115.2562 56.9043 33.1402 173.3667 94 A 4.2053 8.9500 118.7710 55.2070 18.5882 180.0234 95 R 4.6812 7.3710 109.5830 54.3766 32.3955 175.4099 96 G 3.5539 8.5120 104.9220 46.6382 0.0000 174.7512 97 G 3.6307 7.3470 107.4692 46.6306 0.0000 176.4680 *99 R 4.1769 7.8644 116.2213 55.3999 32.7115 178.5241 100 S 4.3365 7.9627 112.5565 61.1864 63.2310 176.4520 101 G 3.5854 8.2263 109.6560 47.4981 0.0000 175.9189 102 S 4.1381 7.9043 116.2701 61.2534 63.2269 176.4904 103 I 3.6300 7.2960 122.2277 63.8045 36.7583 178.5603 104 V 3.5251 7.9795 119.2471 66.1378 31.4337 177.7384 105 N 4.2937 8.1330 116.1388 56.2090 38.1165 177.2070 106 L 3.9237 8.0142 121.5368 58.2891 42.2774 179.0936 107 L 4.0620 8.0635 119.0293 57.7453 41.5232 179.3754 108 S 4.3464 8.7334 115.2491 60.8008 62.0814 176.3289 109 S 4.2755 7.8247 115.3151 60.4322 62.8846 175.3341 110 L 4.5021 7.2774 120.9489 54.3101 41.6328 177.1984 111 G 3.9375 8.0472 107.4791 44.9073 0.0000 173.7064 112 V 3.9528 7.7239 120.5103 61.8122 33.3241 175.2708 113 N 4.7651 8.6590 126.8571 52.6430 37.5181 173.3632 114 V 4.8897 7.5104 114.8741 59.1365 35.2778 174.3370 115 Y 4.9242 8.5932 119.6503 56.2482 42.4166 174.3616 116 Q 4.7255 9.0469 124.8749 55.4498 30.8958 174.5411 117 L 4.5930 8.9549 129.4466 54.4975 43.2581 175.7239 118 E 4.1809 9.0544 129.1668 57.5849 29.6169 177.0301 119 G 3.9451 9.0876 114.2682 44.3459 0.0000 174.3298 120 G 4.2695 8.0609 108.7407 46.1702 0.0000 173.8862 121 Y 4.0338 8.8916 118.1006 60.8915 38.7239 179.2984 122 K 3.7928 8.2867 120.2143 59.5684 32.2132 178.5939 123 A 4.0064 8.0685 121.0004 55.0919 18.2334 179.0938 124 Y 3.9390 7.6472 117.6556 60.8295 39.1213 177.8222 125 R 3.5860 7.7333 119.1559 59.4207 29.9435 178.7812 126 N 4.3921 7.8996 114.6847 56.2004 38.5988 176.8240 127 F 4.2689 8.0121 121.0364 61.4173 39.5094 177.0919 128 V 3.1969 7.2658 116.5793 66.5815 31.6946 176.2398 129 L 4.3276 7.4960 117.3163 54.8940 45.2559 176.5579 130 E 4.0621 8.6834 118.9501 57.7936 29.7538 174.6277 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 S 8.19 4.61 0.00 3.94 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 3 V 8.56 4.87 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 0.81 0.00 0.00 1.02 0.00 0.00 4 I 9.52 4.67 1.56 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 1.06 1.31 0.88 0.00 0.00 5 K 8.50 4.50 0.00 1.70 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.41 7.81 6 I 8.33 3.61 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 1.64 0.78 0.60 0.00 0.00 7 E 7.72 3.43 0.00 2.09 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 2.18 2.29 0.00 8 K 7.84 4.00 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 9 A 8.15 3.89 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.88 4.24 0.00 1.65 1.82 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.55 4.38 0.00 1.86 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 12 L 7.36 4.11 0.00 1.69 1.56 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.64 4.35 0.00 2.68 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 14 K 8.66 3.92 0.00 1.96 1.84 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 15 V 7.54 4.70 2.14 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 0.82 0.00 0.00 0.59 0.00 0.00 16 I 8.20 4.31 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.29 0.55 0.00 0.00 17 F 8.88 5.04 0.00 3.05 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 18 V 9.04 4.61 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 0.88 0.00 0.00 0.84 0.00 0.00 19 D 8.98 3.85 0.00 2.49 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.07 4.06 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 0.59 0.00 0.00 0.81 0.00 0.00 21 R 8.03 4.41 0.00 1.89 2.01 0.00 3.27 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 22 T 8.38 3.98 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 1.14 0.00 0.00 23 E 8.73 4.04 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 24 G 8.03 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.01 3.94 0.00 2.18 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 2.31 2.27 0.00 26 Y 7.86 4.00 0.00 2.80 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 27 E 8.49 4.06 0.00 2.17 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 2.43 2.59 0.00 28 E 7.83 4.03 0.00 1.97 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 0.00 2.31 2.34 0.00 29 D 7.25 4.45 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.04 4.70 0.00 3.16 3.01 0.00 5.73 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 31 I 8.44 2.73 1.29 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 -0.35 0.00 0.00 32 L 7.52 3.96 0.00 1.59 1.62 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.14 4.55 0.00 3.02 3.09 0.00 0.00 7.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.33 4.73 1.56 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 0.00 0.00 35 I 8.64 4.43 1.76 0.00 0.00 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 1.15 0.99 0.90 0.00 0.00 36 N 8.00 5.13 0.00 1.44 1.93 0.00 0.00 7.33 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 *38 P 0.00 4.43 0.00 2.13 2.07 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 39 L 8.17 3.74 0.00 0.80 0.67 0.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.28 5.24 0.00 3.01 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 41 K 9.08 4.26 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 N 8.66 4.28 0.00 2.75 2.81 0.00 0.00 6.63 6.71 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 43 N 8.03 4.31 0.00 2.90 3.02 0.00 0.00 6.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.88 3.43 0.00 2.02 1.49 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 1.47 1.93 0.00 45 H 8.44 3.83 0.00 3.33 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.10 4.25 0.00 2.93 2.83 0.00 0.00 6.68 6.94 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 47 E 8.18 3.89 0.00 2.05 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 2.39 2.37 0.00 48 V 7.83 3.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.61 0.00 0.00 49 G 7.99 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 0.00 0.00 0.00 50 T 7.83 3.93 4.38 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 1.22 0.00 0.00 51 I 8.00 3.86 2.03 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 1.42 1.26 0.94 0.00 0.00 52 Y 7.96 4.34 0.00 2.96 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 53 K 7.75 3.96 0.00 2.01 1.94 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 *55 Q 7.98 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 56 G 7.65 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 0.00 0.00 0.00 57 K 8.67 4.24 0.00 2.04 1.93 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.68 7.81 58 H 8.25 4.25 0.00 3.30 3.33 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.23 3.97 0.00 2.04 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 0.00 2.42 2.33 0.00 60 A 8.18 4.07 1.55 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 0.00 0.00 61 I 8.14 3.69 2.12 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 0.81 1.17 0.00 0.00 62 Q 7.87 4.14 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 63 K 8.25 3.93 0.00 1.85 1.92 0.00 1.52 0.00 0.00 1.13 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 64 G 8.64 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 65 F 8.42 4.11 0.00 3.28 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 66 D 7.84 4.42 0.00 2.38 2.40 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 67 Y 7.65 5.14 0.00 3.26 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 68 V 8.20 3.85 1.84 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 0.62 0.00 0.00 0.81 0.00 0.00 69 S 8.13 4.23 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 70 Y 8.10 4.39 0.00 3.10 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 71 K 7.83 4.35 0.00 1.56 1.64 0.00 1.41 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.80 0.42 7.81 72 L 7.55 3.93 0.00 1.64 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.04 3.96 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.56 7.81 74 D 8.11 4.32 0.00 2.83 2.78 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 0.00 0.00 0.00 75 I 7.80 3.60 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.84 0.00 0.00 76 Y 8.15 4.00 0.00 3.10 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 77 L 8.21 3.72 0.00 1.83 1.65 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.23 3.88 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 79 A 8.04 3.86 1.25 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 0.00 0.00 0.00 80 A 7.61 3.76 0.88 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 81 E 7.95 3.97 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 82 L 8.12 4.13 0.00 1.89 1.79 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.69 4.29 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 84 L 7.66 4.07 0.00 1.75 1.71 0.90 0.90 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 85 N 8.07 4.71 0.00 2.14 2.41 0.00 0.00 6.71 7.46 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 86 Y 7.99 4.81 0.00 2.96 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 87 D 8.73 4.64 0.00 2.80 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 88 N 8.18 5.09 0.00 2.68 2.74 0.00 0.00 6.97 7.42 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 89 I 8.61 4.66 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.83 0.00 0.00 90 V 8.49 4.64 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 1.06 0.00 0.00 0.65 0.00 0.00 91 I 8.88 5.09 1.88 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 1.24 0.49 0.85 0.00 0.00 92 Y 9.08 5.28 0.00 3.09 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 93 C 8.44 5.42 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.95 4.21 1.40 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 0.00 0.00 95 R 7.37 4.68 0.00 1.88 1.92 0.00 3.50 0.00 0.00 3.36 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 96 G 8.51 3.55 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 0.00 0.00 0.00 97 G 7.35 3.63 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 0.00 0.00 0.00 *99 R 7.86 4.18 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 100 S 7.96 4.34 0.00 4.07 4.11 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 0.00 101 G 8.23 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.14 0.00 3.98 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 0.00 103 I 7.30 3.63 1.79 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 1.43 0.70 0.84 0.00 0.00 104 V 7.98 3.53 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 1.13 0.00 0.00 0.94 0.00 0.00 105 N 8.13 4.29 0.00 2.94 2.85 0.00 0.00 6.74 6.03 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 0.00 106 L 8.01 3.92 0.00 1.81 1.82 0.92 0.55 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 0.00 107 L 8.06 4.06 0.00 1.77 1.70 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.73 4.35 0.00 3.80 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 0.00 109 S 7.82 4.28 0.00 4.06 4.14 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 0.00 110 L 7.28 4.50 0.00 1.81 1.69 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.72 3.95 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 0.85 0.00 0.00 0.98 0.00 0.00 113 N 8.66 4.77 0.00 2.81 2.78 0.00 0.00 7.02 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 0.00 114 V 7.51 4.89 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 0.71 0.00 0.00 0.93 0.00 0.00 115 Y 8.59 4.92 0.00 2.82 2.78 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 0.00 0.00 0.00 116 Q 9.05 4.73 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 117 L 8.95 4.59 0.00 1.97 1.71 1.04 0.79 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 0.00 118 E 9.05 4.18 0.00 2.03 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 2.34 2.28 0.00 119 G 9.09 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 0.00 120 G 8.06 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 0.00 121 Y 8.89 4.03 0.00 3.37 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 0.00 122 K 8.29 3.79 0.00 1.96 2.01 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 123 A 8.07 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.65 3.94 0.00 2.78 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 0.00 125 R 7.73 3.59 0.00 1.89 1.83 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.00 126 N 7.90 4.39 0.00 2.84 2.99 0.00 0.00 7.03 7.07 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 0.00 127 F 8.01 4.27 0.00 2.91 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 0.00 128 V 7.27 3.20 1.68 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 0.65 0.00 0.00 0.24 0.00 0.00 129 L 7.50 4.33 0.00 1.58 1.53 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.68 4.06 0.00 2.23 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 2.19 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.