NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3553 8.2493 123.5799 51.7003 20.5136 177.5725 2 E 4.4014 8.0422 109.8344 55.3047 30.6068 174.0251 3 Q 4.2266 7.3296 117.7485 55.2678 31.4554 178.3066 4 S 4.7793 7.6866 115.3475 56.8777 66.1564 173.9763 5 G 4.0165 8.4080 106.5455 45.6523 0.0000 173.2946 6 I 4.3026 7.0832 121.4582 58.6631 38.4545 176.0514 7 S 4.2015 8.5806 120.4523 58.4375 62.9078 173.0903 8 Q 4.8097 8.3452 124.5750 54.5494 31.1835 175.1265 9 T 4.7388 7.9880 115.4325 61.3650 72.7598 174.1203 10 V 3.7477 8.3243 124.0652 63.3738 32.7650 174.6690 11 I 4.7921 8.1742 127.4887 59.5742 40.0196 175.0508 12 V 4.1124 8.5350 120.5534 60.5580 34.4804 174.5841 13 G 2.3870 7.7955 108.2375 42.9638 0.0000 171.6245 14 P 4.3706 0.0000 0.0000 61.1484 32.5474 175.2093 15 W 4.3644 8.3797 119.8036 55.0735 31.3293 174.0440 16 G 4.0890 8.6321 108.3435 44.4310 0.0000 173.1370 17 A 4.4195 8.5990 127.9335 51.7242 19.4704 178.0843 18 K 4.6656 7.9951 118.3801 54.8156 33.0089 179.1130 19 V 4.0170 7.4005 127.1476 61.4354 31.1915 179.3024 *25 G 3.7244 8.5779 119.8188 47.1019 0.0000 170.6469 26 K 4.8185 8.5071 128.2303 53.7321 34.6283 175.3799 27 A 4.7293 8.8088 129.7083 52.1509 19.2615 176.2360 28 F 5.0935 9.0349 115.5087 55.4790 42.1873 173.9368 29 D 4.8918 8.7497 119.7400 53.6896 42.2769 174.5292 30 D 4.5966 9.5255 128.0358 55.7249 41.7699 178.0901 31 G 3.2501 8.4259 106.1035 43.5313 0.0000 171.4604 32 A 4.4390 7.1578 120.3463 50.2318 21.1814 176.9062 33 F 4.6022 8.5399 120.6630 56.6165 41.7166 174.7925 34 T 4.5161 8.7996 111.6210 61.9193 69.9593 174.5237 35 G 4.2389 7.1395 108.4327 46.8817 0.0000 170.9885 36 I 4.8003 8.3858 119.6969 59.8366 39.6321 175.9169 37 R 4.3068 8.7032 125.7709 57.6744 32.2305 176.2183 38 E 4.9272 7.5339 117.7206 54.8550 33.4902 173.7700 39 I 4.5058 8.4134 126.9386 59.3675 40.3484 174.0734 40 N 5.3693 9.0127 124.5500 51.3032 41.5246 173.7714 41 L 5.5371 8.8910 122.6225 53.3800 44.9936 174.8830 42 S 5.2947 8.2881 112.0128 57.0529 66.7010 172.3848 43 Y 5.5706 8.6446 118.2996 55.7946 42.1782 173.1120 44 N 5.2093 9.1550 118.1967 51.6123 41.5051 175.0848 45 K 4.2891 9.3419 127.1102 58.3720 32.5112 176.6158 46 E 4.6042 9.0386 116.8687 57.0281 31.8324 176.3817 47 T 4.1477 8.4098 104.3316 61.1981 69.0700 174.9888 48 A 4.6965 8.5195 125.1216 50.7434 22.8955 175.9864 49 I 4.3723 8.5160 119.3110 61.6861 38.1231 177.4291 50 G 3.0192 8.6529 112.0015 45.0866 0.0000 171.3434 51 D 4.9938 7.3625 117.7199 53.0583 44.8589 173.9377 52 L 4.9604 8.5749 126.4452 53.5699 45.9818 174.5972 53 Q 4.5692 9.0525 126.9611 54.4794 32.9453 173.2743 54 V 4.3936 8.1598 125.2021 60.8744 34.9835 174.2083 55 V 4.2252 8.4051 128.3999 61.9005 32.2479 174.9125 56 Y 4.6390 8.6051 126.7637 57.2508 39.9306 174.1731 57 D 4.8466 8.8065 121.4005 53.3972 43.3442 175.1019 58 L 4.9176 9.0512 127.5408 52.9536 44.2373 175.9312 59 N 4.4543 10.1826 128.0759 54.2431 36.6473 175.8490 60 G 4.1426 9.1733 105.0365 45.1392 0.0000 173.4964 61 S 4.7884 7.8713 113.0136 55.4157 66.2150 171.6787 62 P 4.7950 0.0000 0.0000 62.8644 32.1857 175.3694 63 Y 4.4605 8.9132 124.0543 55.7013 41.7244 174.5997 64 V 3.9471 7.9811 127.9365 61.9642 31.7686 175.9827 65 G 4.0212 8.6855 116.2403 45.7622 0.0000 172.5337 66 Q 4.0354 8.6526 122.3048 55.8157 29.6666 175.4505 67 N 4.2391 8.4344 123.5726 53.7947 39.8946 173.9818 68 H 4.5804 8.7250 124.5537 54.1857 29.7727 173.1868 69 K 4.7682 8.0954 124.2640 53.8764 34.2088 175.7037 70 S 4.1199 8.3217 121.9259 58.4939 62.4859 174.5252 71 F 4.4435 7.9066 123.4492 59.4963 38.8687 175.8678 72 I 4.4025 7.8522 113.8711 59.3315 39.4191 174.5211 73 T 4.4680 8.2860 111.1395 60.5005 70.8744 174.3921 74 G 3.7853 8.8300 107.1595 45.3721 0.0000 173.3684 75 F 4.7234 7.7394 116.8343 56.7778 40.7672 175.2376 76 T 4.4340 8.8252 119.0454 61.5794 69.6163 172.8597 77 P 5.0278 0.0000 0.0000 62.6012 32.7164 176.0826 78 V 4.4848 9.0451 120.8747 59.8127 35.0259 173.9577 79 K 4.6980 8.5999 123.8868 54.7079 34.6174 175.1034 80 I 4.0459 8.8120 129.0259 59.7996 38.8352 175.0759 81 S 4.7106 8.3057 124.3789 56.8682 63.2895 174.3202 82 L 4.3447 8.1603 125.6816 53.6852 42.4154 178.2407 83 D 4.6877 9.1518 123.4995 53.5085 39.3012 175.2889 84 F 4.4726 8.0063 123.3023 57.6413 40.4497 172.7715 85 P 3.7238 0.0000 0.0000 62.1312 31.6449 176.4166 86 S 4.2363 7.9170 114.2847 60.4503 63.4483 173.5821 87 E 4.9618 8.3444 123.0321 54.6165 30.5081 174.8933 88 Y 5.1153 8.4267 123.8193 55.3471 42.1511 174.2011 89 I 4.2160 8.7141 122.0444 62.1342 37.3802 175.7254 90 M 4.6688 9.5172 126.1007 56.0736 34.5631 175.5986 91 E 5.1728 8.0622 118.5915 54.8151 33.5755 173.7458 92 V 4.8357 8.7245 126.6013 61.1787 34.3876 174.4322 93 S 4.2682 8.3763 120.9238 56.8177 67.2960 173.5395 94 G 3.8654 5.8107 104.9581 45.8939 0.0000 171.4141 95 Y 5.3693 7.9730 115.5981 56.4046 42.3213 174.8062 96 T 5.2392 8.8854 113.0625 60.4783 72.1965 173.2616 97 G 4.3868 8.5728 109.3235 45.8222 0.0000 171.5813 98 N 5.3321 8.7578 117.9453 51.9791 38.6993 175.1336 99 V 4.0896 8.5696 122.3589 62.1219 34.0353 175.2815 100 S 3.8177 9.9691 122.5322 59.5042 60.3594 173.3844 101 G 3.7128 8.5520 107.0755 45.0459 0.0000 173.4179 102 Y 4.9762 7.6405 117.4574 55.8879 41.3116 175.1227 103 V 4.4555 8.5671 123.2657 62.9861 32.5271 175.3843 104 V 4.9034 9.0018 120.3542 59.7369 37.2448 174.3473 105 V 4.4931 9.0014 122.4558 62.9837 31.7498 176.5213 106 R 4.4272 9.4755 128.1859 57.8205 32.0032 176.4729 107 S 5.2841 7.9864 111.7363 56.9371 66.3799 172.8433 108 L 5.1187 8.8751 124.1280 53.2862 46.0661 175.3776 109 T 4.9242 9.0291 117.2277 60.2178 71.3765 172.3612 110 F 5.3193 9.4041 126.2897 55.6940 42.1741 173.9315 111 K 4.9565 9.1774 126.4373 55.1281 33.8908 175.7241 112 T 5.0352 8.7047 118.7638 59.6552 71.1675 174.2677 113 N 4.3888 8.1199 118.1248 54.5878 37.5173 175.8206 114 K 4.3462 8.0043 117.6684 57.4405 33.8026 176.3628 115 K 4.5044 7.4590 115.4853 54.9155 36.1627 174.8232 116 T 4.7587 8.0044 116.7941 62.0733 70.1321 173.8679 117 Y 4.4992 9.2633 125.1176 58.1596 39.3744 174.0016 118 G 2.5429 8.3464 111.3330 42.7812 0.0000 170.9022 119 P 4.2264 0.0000 0.0000 62.7054 32.1333 175.0020 120 Y 4.1285 8.7765 118.9234 57.4054 39.8693 175.2401 121 G 3.9948 7.9237 111.1976 44.1552 0.0000 171.7571 122 V 4.0270 7.7338 121.2672 61.6672 32.5565 178.4306 123 T 3.6238 7.9506 121.5188 59.9097 67.4621 174.0832 124 S 4.2517 7.1094 116.2415 58.0048 66.9430 172.3810 125 G 4.1223 8.6026 110.5716 44.7854 0.0000 174.0832 126 T 4.7277 9.6082 121.7952 61.3219 70.0356 172.9834 127 P 4.3333 0.0000 0.0000 62.4098 32.6303 175.4494 128 F 5.1359 8.0449 115.2437 55.5363 41.7389 173.0379 129 N 5.0019 8.4696 115.9897 51.6732 40.3264 173.8737 130 L 4.7122 9.4064 125.3589 52.5896 43.6629 173.0511 131 P 5.0961 0.0000 0.0000 62.0595 32.9183 175.5760 132 I 4.4601 8.5164 123.1264 59.8926 38.7702 175.2765 133 E 4.1740 9.1038 128.4173 58.1365 30.0810 176.2610 134 N 4.7664 8.2980 116.2020 52.0912 41.6210 172.5939 135 G 4.0385 8.1140 110.7202 43.6049 0.0000 172.0710 136 L 4.9552 8.9295 118.4714 52.9005 46.3770 176.2975 137 I 4.5223 8.5624 123.0333 61.2385 37.7932 176.0678 138 V 4.5859 8.8100 118.9728 60.2179 33.7542 175.2752 139 G 4.7067 7.2427 106.8008 46.2704 0.0000 172.5507 140 F 5.9749 8.7727 118.7485 55.6849 43.4102 174.3038 141 K 4.9335 9.2294 119.4758 55.1298 36.4123 176.1072 142 G 4.1638 6.3932 107.6083 46.1207 0.0000 171.6385 143 S 5.1050 7.9826 116.2181 56.8552 66.6004 173.6481 144 I 4.9063 8.9972 126.1352 60.7937 41.5776 172.4265 145 G 3.3338 9.0800 112.7238 46.8563 0.0000 174.5524 146 Y 3.5375 9.2858 117.9699 59.8598 38.8195 175.3945 147 W 5.2100 7.5282 117.1610 54.3150 33.6221 173.4243 148 L 4.4732 8.9928 121.8088 55.8150 41.6146 177.2330 149 D 4.7040 9.5805 128.6919 57.4280 42.1016 176.3115 150 C 5.4663 8.0539 110.8455 57.7273 33.0330 172.5927 151 F 5.4725 8.7923 113.4392 56.1862 40.8737 173.1062 152 S 5.1055 9.6089 115.7870 57.1652 67.6831 172.7413 153 M 5.1084 9.1045 120.0209 53.9170 36.2126 174.6007 154 Y 4.7158 9.1201 120.9872 57.5545 39.5432 174.5007 155 L 5.2588 8.8863 123.7875 53.1991 44.8483 175.8291 156 S 4.7119 9.1177 116.4544 56.4795 66.7649 173.9898 157 L 4.1964 8.4211 122.2451 55.1149 41.4935 177.1591 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.25 4.36 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 2 E 8.04 4.40 0.00 2.09 2.01 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 2.14 2.44 0.00 3 Q 7.33 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 4 S 7.69 4.78 0.00 3.93 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 5 G 8.41 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 0.00 0.00 0.00 6 I 7.08 4.30 1.85 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 1.16 0.66 0.88 0.00 0.00 7 S 8.58 4.20 0.00 3.79 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 8 Q 8.35 4.81 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 9 T 7.99 4.74 4.53 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 0.00 0.00 0.00 1.36 0.00 0.00 10 V 8.32 3.75 2.25 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 1.05 0.00 0.00 0.93 0.00 0.00 11 I 8.17 4.79 1.61 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.67 0.52 0.00 0.00 12 V 8.53 4.11 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 0.70 0.00 0.00 1.17 0.00 0.00 13 G 7.80 2.39 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 0.00 14 P 0.00 4.37 0.00 2.02 1.87 0.00 3.04 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 15 W 8.38 4.36 0.00 2.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.63 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 17 A 8.60 4.42 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 18 K 8.00 4.67 0.00 1.82 1.77 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.41 7.81 19 V 7.40 4.02 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 0.77 0.00 0.00 0.96 0.00 0.00 *25 G 8.58 3.72 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 0.00 0.00 0.00 26 K 8.51 4.82 0.00 2.00 1.74 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 27 A 8.81 4.73 1.22 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 0.00 0.00 0.00 28 F 9.03 5.09 0.00 2.92 3.10 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 0.00 29 D 8.75 4.89 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.53 4.60 0.00 3.17 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 31 G 8.43 3.25 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 32 A 7.16 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.54 4.60 0.00 2.92 3.15 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 0.00 0.00 0.00 34 T 8.80 4.52 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 35 G 7.14 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 36 I 8.39 4.80 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.80 0.00 0.00 37 R 8.70 4.31 0.00 1.65 1.78 0.00 3.02 0.00 0.00 2.89 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.73 0.00 38 E 7.53 4.93 0.00 1.86 1.54 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 2.09 2.35 0.00 39 I 8.41 4.51 1.35 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 0.42 0.00 0.00 40 N 9.01 5.37 0.00 2.49 2.53 0.00 0.00 6.14 6.77 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 41 L 8.89 5.54 0.00 1.78 1.59 0.93 0.66 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 42 S 8.29 5.29 0.00 3.93 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 43 Y 8.64 5.57 0.00 3.16 3.15 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 0.00 0.00 0.00 44 N 9.15 5.21 0.00 2.69 2.84 0.00 0.00 7.18 8.08 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 45 K 9.34 4.29 0.00 1.96 1.91 0.00 2.05 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.58 7.81 46 E 9.04 4.60 0.00 2.12 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 0.00 2.28 2.24 0.00 47 T 8.41 4.15 3.72 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 1.26 0.00 0.00 48 A 8.52 4.70 1.16 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 0.00 0.00 49 I 8.52 4.37 1.97 0.00 0.00 1.00 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 1.06 0.96 0.00 0.00 50 G 8.65 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 0.00 0.00 0.00 51 D 7.36 4.99 0.00 2.45 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 52 L 8.57 4.96 0.00 1.61 1.24 0.55 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 9.05 4.57 0.00 2.06 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 54 V 8.16 4.39 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 0.15 0.00 0.00 0.57 0.00 0.00 55 V 8.41 4.23 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 0.82 0.00 0.00 0.76 0.00 0.00 56 Y 8.61 4.64 0.00 2.43 2.51 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 57 D 8.81 4.85 0.00 1.97 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 0.00 0.00 0.00 0.00 58 L 9.05 4.92 0.00 1.91 1.64 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 N 10.18 4.45 0.00 2.88 2.87 0.00 0.00 7.23 8.03 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 60 G 9.17 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 0.00 0.00 0.00 61 S 7.87 4.79 0.00 4.02 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 62 P 0.00 4.79 0.00 1.90 1.94 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 63 Y 8.91 4.46 0.00 3.01 2.65 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 64 V 7.98 3.95 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 0.66 0.00 0.00 0.78 0.00 0.00 65 G 8.69 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 0.00 0.00 0.00 66 Q 8.65 4.04 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 67 N 8.43 4.24 0.00 2.62 2.59 0.00 0.00 6.97 7.89 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 68 H 8.73 4.58 0.00 2.64 2.57 0.00 5.62 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.10 4.77 0.00 1.64 1.59 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.31 7.81 70 S 8.32 4.12 0.00 3.72 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.91 4.44 0.00 2.79 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 72 I 7.85 4.40 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.93 0.00 0.00 73 T 8.29 4.47 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 1.23 0.00 0.00 74 G 8.83 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 0.00 0.00 0.00 75 F 7.74 4.72 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 76 T 8.83 4.43 3.25 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 1.09 0.00 0.00 77 P 0.00 5.03 0.00 2.02 2.00 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 78 V 9.05 4.48 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 0.53 0.00 0.00 0.27 0.00 0.00 79 K 8.60 4.70 0.00 1.65 1.63 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.49 7.81 80 I 8.81 4.05 1.44 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 1.07 0.28 -0.12 0.00 0.00 81 S 8.31 4.71 0.00 3.72 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 82 L 8.16 4.34 0.00 1.79 1.69 0.69 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 83 D 9.15 4.69 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.01 4.47 0.00 3.06 2.98 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 85 P 0.00 3.72 0.00 1.69 0.58 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 86 S 7.92 4.24 0.00 4.02 4.03 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 87 E 8.34 4.96 0.00 2.02 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 2.30 2.37 0.00 88 Y 8.43 5.12 0.00 3.23 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 89 I 8.71 4.22 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 1.27 0.00 0.00 90 M 9.52 4.67 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 91 E 8.06 5.17 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 92 V 8.72 4.84 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 0.96 0.00 0.00 1.24 0.00 0.00 93 S 8.38 4.27 0.00 3.53 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 94 G 5.81 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 95 Y 7.97 5.37 0.00 2.86 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 96 T 8.89 5.24 4.39 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 1.45 0.00 0.00 97 G 8.57 4.39 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 0.00 98 N 8.76 5.33 0.00 2.71 2.84 0.00 0.00 5.66 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 99 V 8.57 4.09 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 0.12 0.00 0.00 0.59 0.00 0.00 100 S 9.97 3.82 0.00 4.36 4.03 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 0.00 101 G 8.55 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 0.00 0.00 0.00 102 Y 7.64 4.98 0.00 3.08 2.93 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 0.00 0.00 0.00 0.00 103 V 8.57 4.46 2.18 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 0.86 0.00 0.00 1.00 0.00 0.00 104 V 9.00 4.90 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 1.04 0.00 0.00 0.94 0.00 0.00 105 V 9.00 4.49 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 1.21 0.00 0.00 1.27 0.00 0.00 106 R 9.48 4.43 0.00 1.87 2.04 0.00 3.15 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 107 S 7.99 5.28 0.00 4.03 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 0.00 108 L 8.88 5.12 0.00 1.69 1.42 0.96 0.38 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 0.00 109 T 9.03 4.92 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 1.04 0.00 0.00 110 F 9.40 5.32 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 9.18 4.96 0.00 1.82 1.69 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.34 7.81 112 T 8.70 5.04 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 1.52 0.00 0.00 113 N 8.12 4.39 0.00 2.68 2.64 0.00 0.00 6.88 7.00 0.00 0.00 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 K 8.00 4.35 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.54 7.81 115 K 7.46 4.50 0.00 0.92 1.04 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.29 7.81 116 T 8.00 4.76 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 1.13 0.00 0.00 117 Y 9.26 4.50 0.00 3.30 3.22 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 0.00 118 G 8.35 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 0.00 0.00 0.00 119 P 0.00 4.23 0.00 2.04 1.94 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 120 Y 8.78 4.13 0.00 2.90 2.45 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 0.00 0.00 0.00 0.00 121 G 7.92 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 0.00 122 V 7.73 4.03 2.04 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 0.74 0.00 0.00 1.04 0.00 0.00 123 T 7.95 3.62 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 1.12 0.00 0.00 124 S 7.11 4.25 0.00 3.61 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 0.00 125 G 8.60 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.61 4.73 4.37 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 1.29 0.00 0.00 127 P 0.00 4.33 0.00 1.66 1.14 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 128 F 8.04 5.14 0.00 2.85 3.10 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 0.00 129 N 8.47 5.00 0.00 2.64 2.52 0.00 0.00 5.78 7.79 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 0.00 130 L 9.41 4.71 0.00 1.48 1.47 1.13 0.35 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 0.00 131 P 0.00 5.10 0.00 2.14 2.03 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 132 I 8.52 4.46 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 1.04 0.00 0.00 133 E 9.10 4.17 0.00 1.96 2.00 0.00 0.00 0.00 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 2.32 0.00 134 N 8.30 4.77 0.00 2.66 2.65 0.00 0.00 7.05 7.98 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 0.00 135 G 8.11 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 0.00 0.00 0.00 136 L 8.93 4.96 0.00 1.55 1.58 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.56 4.52 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.78 0.00 0.00 138 V 8.81 4.59 2.27 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 0.87 0.00 0.00 1.04 0.00 0.00 139 G 7.24 4.71 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 0.00 0.00 0.00 140 F 8.77 5.97 0.00 3.40 3.37 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 0.00 141 K 9.23 4.93 0.00 1.93 2.26 0.00 1.34 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.32 7.81 142 G 6.39 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 0.00 0.00 0.00 0.00 143 S 7.98 5.10 0.00 3.87 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 0.00 144 I 9.00 4.91 2.01 0.00 0.00 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 0.96 1.29 0.93 0.00 0.00 145 G 9.08 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 0.00 0.00 0.00 146 Y 9.29 3.54 0.00 2.00 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 0.00 147 W 7.53 5.21 0.00 3.58 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 0.00 148 L 8.99 4.47 0.00 1.84 1.72 1.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 149 D 9.58 4.70 0.00 2.71 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 0.00 150 C 8.05 5.47 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.79 5.47 0.00 3.51 3.29 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 0.00 152 S 9.61 5.11 0.00 3.60 3.72 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 0.00 153 M 9.10 5.11 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.40 0.00 154 Y 9.12 4.72 0.00 2.99 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 0.00 155 L 8.89 5.26 0.00 1.49 1.58 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 156 S 9.12 4.71 0.00 3.86 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 0.00 157 L 8.42 4.20 0.00 1.66 1.56 0.93 0.83 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 * Residues marked with a * may have inaccurate shift predictions.