NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3417 8.1233 123.5772 51.9504 19.8803 180.6938 10 N 4.3214 9.0315 123.8462 57.3531 38.3308 174.5070 11 S 4.0767 8.7599 117.8023 61.4870 63.3481 176.2849 12 T 3.7070 7.4153 117.7965 66.3158 68.3042 176.9501 13 V 3.1053 7.3871 119.5477 65.9833 31.5398 177.9113 14 L 3.8378 7.8750 118.7533 57.5721 41.1207 179.5616 15 S 4.0076 7.8701 112.3709 61.8261 62.5610 175.4854 16 F 4.6206 8.0152 119.8272 61.6202 38.6644 177.3339 17 C 4.0346 8.4424 114.8228 63.1534 27.9563 176.2068 18 A 3.7741 7.8699 121.0930 54.5846 17.8719 178.6859 19 F 4.7533 7.3262 112.6757 56.5196 39.5088 176.2250 20 A 4.2992 7.2970 122.8444 52.0186 18.7991 178.9377 21 V 3.8138 8.1859 111.9273 62.6833 32.2779 177.2392 22 D 4.6838 7.5672 120.4785 51.0561 42.3084 173.3022 23 P 4.2775 0.0000 0.0000 65.2116 31.7075 177.2708 24 A 3.9891 8.1153 118.8219 55.4375 18.1215 179.5116 25 K 3.9201 9.2639 118.0605 59.3466 32.3036 178.7628 26 A 3.9789 8.0243 121.1584 55.5515 18.3167 179.0043 27 Y 4.3423 8.4310 118.2522 60.7213 38.8420 178.3296 28 K 3.7711 8.0547 119.1097 59.6845 32.3584 178.9301 29 D 4.3813 8.4824 119.4443 57.4638 40.6682 178.2004 30 Y 4.1662 8.4964 120.2103 60.8959 38.7756 178.2129 31 L 3.4423 8.0986 119.8080 57.6599 41.4718 179.2664 32 A 3.9292 8.0238 119.7816 55.2746 18.2234 178.9055 33 S 4.4832 7.4458 110.5580 58.6000 62.9535 175.3331 34 G 3.7951 7.9205 109.7109 45.0904 0.0000 174.7273 35 G 2.6126 6.7698 107.7482 44.9050 0.0000 173.4333 36 Q 4.2034 8.4184 122.4044 54.3609 29.9108 174.2728 37 P 4.6776 0.0000 0.0000 62.4970 32.0613 176.1521 38 I 3.8591 8.7996 123.2485 61.6970 37.3375 176.4514 39 T 4.4389 8.6207 116.6291 60.9592 71.2947 172.9967 40 N 4.2212 8.5775 113.8533 54.9328 34.8449 174.1576 41 C 4.7901 7.9259 114.0133 58.3341 30.8422 174.0932 42 V 4.3270 8.7906 116.9303 60.3066 32.9381 175.3384 43 K 4.8419 8.5331 123.9281 54.7974 34.2978 175.3117 44 M 4.8773 8.4394 119.7751 53.1395 34.5448 174.7941 45 L 4.0607 8.3949 121.9177 54.6913 42.9512 175.5075 46 C 4.4524 8.4285 126.5929 58.0793 32.3987 174.3517 47 T 4.0542 8.0911 119.2201 60.6117 66.8018 168.8884 48 H 4.1184 7.5887 129.1955 58.2673 28.2231 176.2243 49 T 3.4443 7.6600 118.4983 62.8773 65.3370 173.2884 50 G 3.9813 8.6987 116.5448 44.4412 0.0000 172.9750 51 T 3.8811 9.2226 109.4645 63.0014 68.7133 175.9363 52 G 4.0856 8.2632 109.6883 46.2209 0.0000 173.8107 53 Q 4.1367 7.3502 117.9578 55.7125 29.6355 176.3518 54 A 4.0325 8.8067 124.3208 54.6334 19.1791 177.6481 55 I 5.1821 7.4081 114.7003 59.8787 40.4274 174.9611 56 T 4.8435 8.9991 116.3567 60.0010 72.5978 175.0652 57 V 4.2047 8.6378 113.7643 62.4819 32.0537 176.4296 58 T 4.0597 7.5010 108.5618 59.0169 71.2583 171.6144 59 P 4.2828 0.0000 0.0000 63.8682 31.7979 176.4201 60 E 4.6551 10.3732 121.4932 55.9165 31.6034 175.2385 61 A 4.4390 7.7862 122.3372 52.6155 19.1582 178.6880 62 N 4.8657 8.8366 119.0931 52.5529 40.2039 175.8816 63 M 4.5145 8.5013 116.6030 56.7408 32.0662 176.6331 64 D 4.9713 7.9884 117.9765 54.0882 43.5784 175.0698 65 Q 5.2466 7.8759 116.2069 53.9846 32.5460 174.3413 66 E 4.7324 9.1791 117.8117 55.1032 34.3552 175.4446 67 S 5.1523 8.4939 118.6877 57.4552 64.6897 173.3070 68 F 5.1217 9.5956 124.6406 55.4946 41.6800 175.6297 69 G 3.4969 9.4138 109.9766 46.3763 0.0000 173.9321 70 G 4.2543 9.4849 112.2152 48.6470 0.0000 174.9682 71 A 3.8818 8.1782 119.6648 54.8436 18.5602 179.4352 72 S 3.8190 7.5290 109.8826 61.3632 62.2712 175.4896 73 C 4.6188 8.6251 118.7341 60.4600 29.3493 173.1002 74 C 4.0456 7.3825 121.7479 56.9642 44.5358 173.7665 75 L 3.6065 8.5617 130.4531 58.6148 41.5895 178.3854 76 Y 3.8259 7.7471 116.0030 60.9947 38.0063 178.7270 77 C 4.4706 8.1389 117.0913 59.7220 40.2121 175.9138 78 R 3.8022 7.6999 118.9666 58.3960 29.8364 177.6366 79 C 4.1879 7.8551 114.1623 58.7395 29.0706 172.9136 80 H 4.1354 7.5136 116.3008 56.7865 26.4280 174.0931 81 I 4.6834 7.5117 109.4975 58.6751 40.8581 174.7443 82 D 4.6258 8.5368 121.2776 54.9213 41.2908 175.0382 83 H 4.3701 8.0606 116.1960 53.3493 31.1566 171.7432 84 P 4.1230 0.0000 0.0000 63.2091 33.6954 180.9187 85 N 3.4090 7.3134 113.3093 52.2875 39.8765 177.3936 *89 F 3.9817 8.8121 123.6392 59.0577 40.5081 176.4220 90 C 3.8982 7.2633 119.0994 60.8621 28.1701 173.7417 91 D 4.7178 8.2299 118.1429 53.5190 39.1220 177.5336 92 L 4.5323 8.2600 122.0668 56.1809 43.7491 177.0919 93 K 4.0100 7.8033 119.1408 58.0105 32.3507 177.6093 94 G 3.9161 8.7716 113.0779 45.4438 0.0000 172.6944 95 K 4.6864 7.2302 118.8679 54.8100 35.8314 174.1407 96 Y 5.0287 9.2152 117.6349 56.7254 41.5284 175.1224 97 V 4.8928 9.1857 124.8724 61.6395 33.5183 174.4497 98 Q 5.1293 9.2485 128.3220 55.2917 29.6385 175.4226 99 I 4.4026 8.8853 124.8639 58.3403 41.2149 173.6511 100 P 4.5848 0.0000 0.0000 62.9939 31.9745 177.5517 101 T 3.8737 9.0938 120.3924 66.8547 68.5205 175.6934 102 T 4.5082 7.7844 108.3035 61.8726 69.3433 174.5609 103 C 4.6473 7.9345 118.2741 59.5647 29.8765 175.3829 104 A 4.0034 7.3715 119.0993 52.9516 17.2858 177.7787 105 N 4.6743 7.7548 113.7125 54.1512 38.8026 175.1879 106 D 4.7436 7.3517 118.2032 51.1920 41.6761 173.1978 107 P 3.8886 0.0000 0.0000 65.8084 31.3653 178.3899 108 V 3.5892 7.7334 116.1337 66.0354 31.5329 177.9578 109 G 4.2401 8.4659 106.1654 47.2150 0.0000 174.7459 110 F 3.7535 8.4767 123.7950 61.3917 39.1214 177.3708 111 T 3.6236 7.4735 107.4688 64.6179 68.3925 176.0666 112 L 4.1607 7.2358 120.5535 57.8089 41.9359 179.3007 113 R 4.0502 8.2146 115.7953 56.9980 30.1980 176.0405 114 N 5.0353 6.8658 115.1860 51.5103 41.8490 174.0206 115 T 4.8536 8.4677 116.1871 61.9545 71.9538 173.3494 116 V 4.3333 8.3470 125.1814 61.4820 32.9817 175.1297 117 C 4.3167 8.8406 128.7594 59.5047 31.9323 174.2491 118 T 4.1099 8.4616 116.0293 63.0396 68.9166 175.2168 119 V 4.0302 7.3527 121.0328 65.1883 32.7307 176.5753 120 C 4.1541 7.9851 116.7752 62.5876 28.3054 175.3954 121 G 3.8770 8.2348 106.8026 45.2451 0.0000 172.6550 122 M 4.6836 7.3853 118.6932 52.6563 34.7079 175.1716 123 W 4.8492 8.4200 120.3481 56.4523 29.8181 176.3297 124 K 4.2581 8.8661 123.7483 58.1026 31.7469 177.4193 125 G 3.8658 9.8857 112.9174 45.5391 0.0000 172.9513 126 Y 4.8164 8.4520 115.9618 55.0271 38.7033 172.9820 127 G 3.8338 9.0483 115.1242 46.2524 0.0000 172.2885 128 C 3.5886 8.2923 119.9694 60.0343 32.3076 173.8319 129 S 4.0696 8.7375 120.3612 59.1991 62.6647 171.9610 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 9 A 8.12 4.34 1.01 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 0.00 0.00 10 N 9.03 4.32 0.00 2.78 2.82 0.00 0.00 6.84 6.68 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 11 S 8.76 4.08 0.00 3.82 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 12 T 7.42 3.71 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 0.85 0.00 0.00 13 V 7.39 3.11 1.98 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 0.57 0.00 0.00 0.58 0.00 0.00 14 L 7.87 3.84 0.00 1.65 1.55 0.82 0.52 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 15 S 7.87 4.01 0.00 3.97 4.01 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 16 F 8.02 4.62 0.00 3.19 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 17 C 8.44 4.03 0.00 2.88 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 18 A 7.87 3.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.33 4.75 0.00 3.05 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 20 A 7.30 4.30 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 21 V 8.19 3.81 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 0.73 0.00 0.00 0.94 0.00 0.00 22 D 7.57 4.68 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 1.92 1.96 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 24 A 8.12 3.99 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 25 K 9.26 3.92 0.00 1.95 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.46 7.81 26 A 8.02 3.98 1.38 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 0.00 0.00 27 Y 8.43 4.34 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.77 0.00 2.05 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 29 D 8.48 4.38 0.00 2.81 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 30 Y 8.50 4.17 0.00 3.15 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 31 L 8.10 3.44 0.00 1.57 1.45 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.02 3.93 1.30 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 0.00 0.00 33 S 7.45 4.48 0.00 3.94 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 34 G 7.92 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 35 G 6.77 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 0.00 0.00 0.00 36 Q 8.42 4.20 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 P 0.00 4.68 0.00 2.26 2.26 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 38 I 8.80 3.86 1.76 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.81 0.00 0.00 39 T 8.62 4.44 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 1.28 0.00 0.00 40 N 8.58 4.22 0.00 2.92 3.01 0.00 0.00 6.72 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 41 C 7.93 4.79 0.00 3.18 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 42 V 8.79 4.33 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 0.72 0.00 0.00 0.99 0.00 0.00 43 K 8.53 4.84 0.00 1.42 1.34 0.00 1.51 0.00 0.00 1.37 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 1.15 7.81 44 M 8.44 4.88 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.91 0.00 45 L 8.39 4.06 0.00 1.57 1.57 0.89 0.85 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 46 C 8.43 4.45 0.00 2.92 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 47 T 8.09 4.05 4.17 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 1.15 0.00 0.00 48 H 7.59 4.12 0.00 3.31 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.66 3.44 4.23 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 1.22 0.00 0.00 50 G 8.70 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 51 T 9.22 3.88 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 1.28 0.00 0.00 52 G 8.26 4.09 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 0.00 53 Q 7.35 4.14 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 54 A 8.81 4.03 -0.19 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 55 I 7.41 5.18 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.97 0.00 0.00 56 T 9.00 4.84 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 1.23 0.00 0.00 57 V 8.64 4.20 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 0.79 0.00 0.00 0.97 0.00 0.00 58 T 7.50 4.06 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 1.16 0.00 0.00 59 P 0.00 4.28 0.00 1.87 1.92 0.00 3.17 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 60 E 10.37 4.66 0.00 1.86 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 2.46 2.39 0.00 61 A 7.79 4.44 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 62 N 8.84 4.87 0.00 2.94 2.82 0.00 0.00 6.99 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 63 M 8.50 4.51 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 64 D 7.99 4.97 0.00 2.62 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 65 Q 7.88 5.25 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 66 E 9.18 4.73 0.00 1.99 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 2.20 2.31 0.00 67 S 8.49 5.15 0.00 3.75 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 68 F 9.60 5.12 0.00 3.02 3.02 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 69 G 9.41 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.48 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 0.00 0.00 0.00 0.00 71 A 8.18 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.53 3.82 0.00 3.87 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 73 C 8.63 4.62 0.00 3.01 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 74 C 7.38 4.05 0.00 2.90 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 75 L 8.56 3.61 0.00 1.50 1.27 0.46 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.75 3.83 0.00 3.13 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 77 C 8.14 4.47 0.00 3.28 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 78 R 7.70 3.80 0.00 1.77 1.81 0.00 3.21 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 79 C 7.86 4.19 0.00 2.79 2.75 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 80 H 7.51 4.14 0.00 3.35 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.51 4.68 1.87 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 1.40 0.75 0.86 0.00 0.00 82 D 8.54 4.63 0.00 2.67 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 83 H 8.06 4.37 0.00 2.54 2.71 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.12 0.00 2.00 1.84 0.00 2.66 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.00 85 N 7.31 3.41 0.00 2.59 2.55 0.00 0.00 6.87 7.45 0.00 0.00 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 F 8.81 3.98 0.00 2.86 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 90 C 7.26 3.90 0.00 3.04 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 91 D 8.23 4.72 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 92 L 8.26 4.53 0.00 1.72 1.77 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.80 4.01 0.00 1.80 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.45 7.81 94 G 8.77 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 95 K 7.23 4.69 0.00 1.81 1.97 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 96 Y 9.22 5.03 0.00 2.92 2.90 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 97 V 9.19 4.89 2.30 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 1.33 0.00 0.00 1.11 0.00 0.00 98 Q 9.25 5.13 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.37 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 99 I 8.89 4.40 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.89 -0.06 0.00 0.00 100 P 0.00 4.58 0.00 1.92 2.00 0.00 2.33 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.14 0.00 101 T 9.09 3.87 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 1.23 0.00 0.00 102 T 7.78 4.51 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 1.23 0.00 0.00 103 C 7.93 4.65 0.00 2.40 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 0.00 104 A 7.37 4.00 1.42 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 0.00 0.00 0.00 105 N 7.75 4.67 0.00 2.87 2.93 0.00 0.00 6.54 7.88 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 0.00 106 D 7.35 4.74 0.00 2.73 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 0.00 107 P 0.00 3.89 0.00 1.89 1.34 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 108 V 7.73 3.59 1.98 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 0.81 0.00 0.00 0.85 0.00 0.00 109 G 8.47 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 0.00 110 F 8.48 3.75 0.00 2.96 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 0.00 111 T 7.47 3.62 4.44 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 0.00 0.00 0.00 1.42 0.00 0.00 112 L 7.24 4.16 0.00 1.86 1.80 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.21 4.05 0.00 1.50 1.84 0.00 3.05 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 114 N 6.87 5.04 0.00 1.44 2.34 0.00 0.00 6.77 7.53 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 0.00 115 T 8.47 4.85 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 1.27 0.00 0.00 116 V 8.35 4.33 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.10 0.00 0.00 117 C 8.84 4.32 0.00 3.02 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 0.00 118 T 8.46 4.11 4.23 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 1.20 0.00 0.00 119 V 7.35 4.03 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 0.84 0.00 0.00 0.93 0.00 0.00 120 C 7.99 4.15 0.00 3.01 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 0.00 121 G 8.23 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 0.00 122 M 7.39 4.68 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 123 W 8.42 4.85 0.00 3.86 3.27 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 0.00 124 K 8.87 4.26 0.00 2.03 1.86 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 125 G 9.89 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 0.00 126 Y 8.45 4.82 0.00 3.19 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 0.00 127 G 9.05 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.29 3.59 0.00 3.11 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 0.00 129 S 8.74 4.07 0.00 3.99 3.79 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 * Residues marked with a * may have inaccurate shift predictions.