NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7599 8.2048 120.4227 55.4335 33.4140 175.2151 2 I 4.0301 9.1422 130.4276 59.7937 37.8394 170.7814 3 V 4.2406 10.1529 131.1458 62.5120 32.5641 174.3319 4 S 5.4446 8.8501 125.3752 56.5986 65.3032 174.5398 5 F 5.6143 8.6749 121.9380 58.1308 40.4552 174.2245 6 M 5.4414 9.4212 120.6078 54.2631 34.9559 174.7980 7 V 4.5242 9.0760 125.0450 60.0381 35.3686 173.6956 8 A 4.8784 8.6739 125.4603 50.9598 20.1686 175.4786 9 M 4.9009 9.2019 126.4558 54.8814 35.3641 173.5522 10 D 4.8038 8.2757 114.5899 53.2584 44.7841 177.4687 11 E 4.1029 9.0149 121.3004 58.7164 29.6315 177.9868 12 N 5.0082 8.0958 115.6796 52.8826 39.5502 175.5340 13 R 3.9971 8.3653 114.7849 56.5539 28.7797 176.4529 14 V 3.0566 7.3020 118.3937 63.0753 31.6336 175.6757 15 I 4.7487 9.4878 120.1977 58.8416 37.8575 175.4048 16 G 3.7086 6.4822 109.8826 45.8483 0.0000 170.3885 17 K 5.0529 7.8644 120.5050 55.1297 33.8165 176.2462 18 D 4.2765 8.3578 114.9197 56.2699 40.3245 176.7032 *20 N 4.3282 7.9438 116.7268 52.2470 39.9151 173.5198 21 L 3.2994 7.8126 119.9804 54.6715 41.8154 176.4794 22 P 4.1987 0.0000 0.0000 62.7479 31.5747 176.0793 23 W 5.0377 5.9371 114.3930 54.5512 31.0556 175.5101 24 R 4.4064 8.6319 120.4512 54.1683 29.1752 173.8496 25 L 4.7433 7.7674 119.1246 51.9069 43.7528 174.5202 26 P 4.3142 0.0000 0.0000 65.4195 31.4809 178.5350 27 S 4.2052 8.1605 112.2581 61.4160 62.2238 175.9666 28 E 4.4270 8.0888 122.6855 59.0540 29.5286 178.7106 29 L 4.0945 7.9681 118.6712 57.5420 41.5002 179.3861 30 Q 3.9339 8.8564 120.0701 59.4135 29.1252 177.4476 31 Y 3.9921 8.1508 120.5334 60.8490 38.6659 177.9498 32 V 3.2936 8.1028 118.9557 65.8785 31.3323 177.4729 33 K 3.6502 8.1742 119.0141 59.6970 31.7784 178.3692 34 K 3.7597 7.8664 118.3201 59.9288 32.0966 178.4519 35 T 3.8170 7.1290 114.7168 65.8610 68.2772 175.9604 36 T 3.2040 7.4274 113.1810 60.4429 67.1762 173.4666 37 M 4.1477 6.8888 120.4973 57.0173 32.5046 176.4712 38 G 3.9986 8.6907 115.6830 45.0906 0.0000 172.5465 39 H 5.0441 7.2886 115.6778 52.9490 31.5149 172.5731 40 P 4.5354 0.0000 0.0000 63.1543 32.7029 174.9591 41 L 4.8191 8.7142 124.0255 53.4136 43.7961 175.7155 42 I 4.6944 9.7355 126.5739 59.7340 38.0832 174.3076 43 M 5.1751 8.5972 123.8414 52.8247 35.1233 175.6255 44 G 3.9622 8.3324 108.2589 45.8346 0.0000 174.5506 45 R 3.8937 8.6253 119.1904 59.4307 29.9515 178.6328 46 K 4.0719 7.8807 117.6889 59.2484 32.2064 178.5665 47 N 4.2753 8.1638 116.9386 57.0590 38.8695 176.0972 48 Y 4.2102 8.1483 122.7215 61.2698 38.6560 178.2453 49 E 4.0490 7.7785 116.3747 59.8472 29.8913 181.3699 50 A 4.3387 7.3963 118.2960 55.6440 18.9810 179.2870 51 I 3.7144 7.6966 117.5908 63.1724 37.2396 176.4707 52 G 4.0097 8.8115 107.1307 44.6814 0.0000 173.6180 53 R 4.5084 6.9410 112.8767 53.2075 32.4131 173.3866 54 P 4.6294 0.0000 0.0000 61.9939 30.7375 176.4090 55 L 3.9560 8.5262 124.4279 54.1054 41.5143 175.8949 56 P 4.3551 0.0000 0.0000 63.0822 32.0036 176.4015 57 G 3.9876 9.7565 109.6460 45.9553 0.0000 173.8093 58 R 4.7499 7.1331 116.9460 54.7640 34.2289 180.1982 59 R 3.9998 8.4505 117.3341 57.2178 31.2566 176.0708 60 N 4.8476 8.7924 123.1750 52.5024 39.7647 174.1575 61 I 4.8521 8.3853 125.9192 59.5685 39.6944 175.3602 62 I 5.3714 8.7069 128.1498 59.0826 39.9494 175.2234 63 V 4.8970 8.3138 124.3148 61.5364 33.3941 174.5964 64 T 4.7528 8.7772 120.7273 60.4085 71.4986 176.2157 65 R 3.9432 8.7352 121.2106 58.3488 30.0384 176.7039 66 N 4.5195 7.8917 114.6778 54.3855 37.0127 174.5713 67 E 4.0378 8.4831 120.6134 56.4831 29.2314 177.5340 68 G 4.2530 8.6650 104.9868 45.2237 0.0000 172.2470 69 Y 4.6655 8.0858 120.2237 56.3357 40.0966 174.1952 70 H 4.4770 6.8153 121.7085 54.6355 33.3145 173.3087 71 V 3.9619 7.5266 115.9128 60.6526 33.2694 171.6003 72 E 3.9081 8.9566 125.3039 57.6743 29.8690 176.3362 73 G 3.9282 8.8592 112.3718 46.6416 0.0000 172.6953 74 C 5.0361 7.5305 113.8645 57.6201 32.6823 173.3243 75 E 4.5403 9.1125 120.4178 54.7161 32.0684 175.5778 76 V 4.4848 8.3943 124.5070 61.3120 32.0481 174.8454 77 A 4.5810 8.6152 130.0089 51.2981 20.3699 177.0926 78 H 5.6351 8.6092 112.0970 53.8223 31.5612 174.3155 79 S 4.6772 7.5505 114.3105 55.7366 68.2769 174.7017 80 V 3.3105 7.9996 121.5390 65.3595 31.1377 177.8940 81 E 4.0022 7.9208 117.4315 59.6574 29.7415 178.9271 82 E 4.0265 8.0011 119.1900 58.3751 29.4577 179.4756 83 V 3.6883 7.5351 118.6473 66.0229 31.5942 178.0956 84 F 4.7069 8.3557 116.4862 60.0370 38.4503 176.8155 85 E 4.2261 8.1727 119.2648 58.9386 29.4145 178.3395 86 L 4.1350 7.4745 116.7324 57.2053 41.8658 178.0859 87 C 4.6205 7.9174 115.2721 59.4618 28.1970 175.3794 88 K 3.8777 7.4800 124.2744 59.1217 31.7556 177.2132 89 N 4.9052 8.0915 113.2967 52.7652 38.8247 173.6068 90 E 4.5439 8.2396 120.1790 54.8837 30.9172 177.0948 91 E 4.1096 8.7706 121.9782 59.1410 30.9947 176.4428 92 E 5.2622 8.0616 119.0892 54.4412 32.8408 174.3133 93 I 4.8547 8.8780 119.4755 59.0681 41.2603 174.2075 94 F 6.0003 9.0043 121.9484 54.9682 41.9389 174.7462 95 I 4.1916 8.7740 125.7747 61.4880 37.3215 176.1625 96 F 4.7967 9.0811 130.7154 59.5658 41.0119 175.9481 97 G 4.5433 7.2388 102.7348 46.8268 0.0000 173.3977 98 G 4.0564 8.9591 109.8186 45.7197 0.0000 174.4270 99 A 4.4307 8.9082 131.7022 55.1231 18.3698 179.3224 100 Q 4.4230 8.0301 112.9306 56.2172 29.1636 182.2712 101 I 4.1520 7.4891 116.9224 64.7280 37.5006 177.4868 102 Y 4.0866 8.3877 117.9736 61.2525 37.4388 178.3109 103 D 4.5191 7.9904 118.3749 57.5314 40.9625 178.6646 104 L 4.1415 7.6159 117.6838 56.8431 41.8513 178.4632 105 F 5.1237 8.1814 114.8524 57.0625 39.4455 177.0987 106 L 4.1804 8.2277 121.8183 57.8890 41.9397 176.2936 107 P 4.3914 0.0000 0.0000 63.8676 31.3130 176.0230 108 Y 4.8801 8.0037 114.3483 57.3113 40.1480 176.5548 109 V 4.0602 8.0607 118.7988 62.2906 32.0039 175.0059 110 D 4.9524 9.9660 121.5097 55.1749 43.7657 175.6334 111 K 5.3663 8.1669 117.1899 54.7235 36.9501 175.0882 112 L 4.8154 9.1642 121.7005 53.7092 45.5138 175.8344 113 Y 4.8047 9.1160 124.2541 56.9166 38.5397 174.2695 114 I 4.8992 9.1326 125.9060 59.7487 39.7213 174.7870 115 T 5.1520 9.3157 125.0726 62.1966 70.6319 174.1251 116 K 4.6967 8.8928 125.3702 54.6538 35.3269 175.0895 117 I 4.5561 7.5552 126.4456 59.4935 38.1050 176.7927 118 H 4.8002 8.5632 128.3619 55.7987 26.9382 173.7906 119 H 4.9168 7.8918 117.1102 54.5767 34.6379 172.2405 120 A 5.0583 7.3232 122.4229 49.2734 20.5526 175.7129 121 F 4.7536 8.9502 123.7168 56.3248 41.4062 176.6162 122 E 4.3274 8.8094 118.8755 55.7147 29.2632 177.4362 123 G 4.4182 8.5973 112.2039 42.6798 0.0000 171.1167 124 D 4.9661 8.8165 121.5307 55.4737 41.4679 176.3649 125 T 4.6799 7.8425 110.7444 60.6003 70.2693 173.5056 126 F 5.2883 8.9913 123.7857 55.3552 42.6114 174.5734 127 F 4.4472 9.1407 125.2205 56.9018 39.4473 173.6387 128 P 4.1001 0.0000 0.0000 62.5938 31.7873 175.8474 129 E 4.1597 8.2609 121.1788 56.7567 30.3602 175.8430 130 M 4.8124 7.8694 120.6836 54.6975 36.9669 173.9646 131 D 4.7792 7.8292 120.2327 53.7733 38.7132 178.6114 *135 W 5.0603 8.7384 113.1840 56.3715 30.1260 173.0576 136 K 4.8190 8.8195 124.2637 54.7201 34.8533 174.2088 137 E 4.8052 8.9842 126.8861 55.2294 29.9281 175.7536 138 V 4.2412 8.6457 127.0667 62.9617 33.2504 176.1666 139 F 5.0725 7.8298 122.1149 56.5758 43.0254 173.5006 140 V 4.8148 7.1050 123.3516 60.0465 33.7761 173.9652 141 E 4.4757 8.9963 124.4139 54.2542 33.3371 174.0900 142 K 2.9928 8.3723 127.3491 55.5971 33.1732 176.4811 143 G 2.4060 7.1202 113.8392 44.5421 0.0000 173.7056 144 L 4.1636 8.1848 122.3750 54.1916 41.3345 176.0123 145 T 4.6565 8.0812 123.8798 62.7698 69.5477 173.1691 146 D 5.1024 8.2717 129.7049 53.6872 43.2988 175.7137 147 E 4.1303 9.0745 121.8099 60.6172 29.9594 178.4638 148 K 4.2817 7.9332 117.0076 55.7633 32.9011 178.3005 149 N 5.2018 7.5091 113.9327 51.3735 38.7378 173.1956 150 P 4.1008 0.0000 0.0000 64.7300 32.1698 176.5157 151 Y 4.8275 7.6418 113.7249 56.0690 41.1791 174.4978 152 T 4.9787 8.6835 116.9107 61.0179 69.2203 173.0464 153 Y 5.2188 7.5330 124.7365 56.4612 41.9004 172.5851 154 Y 4.5738 8.8578 115.9972 56.3611 42.8011 174.1128 155 Y 5.1350 9.3446 120.1884 57.1035 39.9347 174.4898 156 H 5.1518 9.3529 121.1020 53.8774 32.7360 172.8191 157 V 4.8108 8.3855 121.8066 61.2708 34.5069 173.7538 158 Y 6.0114 8.9366 124.8227 55.6429 41.6310 174.4555 159 E 5.0535 8.7699 121.0206 53.8767 33.8292 175.0529 160 K 2.9513 7.3918 125.0415 56.8133 32.5625 176.1292 161 Q 4.2922 8.2004 124.5524 55.3387 31.0529 175.6523 162 Q 3.5385 7.9330 116.5795 56.1492 28.4991 175.5744 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 M 8.20 4.76 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 2 I 9.14 4.03 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.78 0.94 0.00 0.00 3 V 10.15 4.24 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 1.19 0.00 0.00 1.24 0.00 0.00 4 S 8.85 5.44 0.00 3.52 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.67 5.61 0.00 3.20 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 6 M 9.42 5.44 0.00 2.50 2.35 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.82 0.00 7 V 9.08 4.52 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 0.01 0.00 0.00 0.47 0.00 0.00 8 A 8.67 4.88 1.44 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 0.00 0.00 0.00 9 M 9.20 4.90 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 10 D 8.28 4.80 0.00 3.15 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 11 E 9.01 4.10 0.00 2.07 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 2.33 2.60 0.00 12 N 8.10 5.01 0.00 2.83 3.01 0.00 0.00 7.17 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 13 R 8.37 4.00 0.00 2.30 2.24 0.00 3.25 0.00 0.00 3.49 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 14 V 7.30 3.06 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 0.60 0.00 0.00 0.54 0.00 0.00 15 I 9.49 4.75 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 1.09 0.00 0.00 16 G 6.48 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 17 K 7.86 5.05 0.00 1.51 1.53 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.28 7.81 18 D 8.36 4.28 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 *20 N 7.94 4.33 0.00 2.67 2.65 0.00 0.00 7.16 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 21 L 7.81 3.30 0.00 1.29 0.80 0.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.20 0.00 1.47 1.91 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 23 W 5.94 5.04 0.00 3.24 2.36 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 24 R 8.63 4.41 0.00 1.79 1.93 0.00 3.19 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 25 L 7.77 4.74 0.00 1.62 1.53 0.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.31 0.00 2.20 2.13 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 27 S 8.16 4.21 0.00 3.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.09 4.43 0.00 1.82 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 2.51 1.95 0.00 29 L 7.97 4.09 0.00 1.98 1.75 0.94 0.79 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 30 Q 8.86 3.93 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 31 Y 8.15 3.99 0.00 3.02 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 32 V 8.10 3.29 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 1.18 0.00 0.00 1.15 0.00 0.00 33 K 8.17 3.65 0.00 1.98 1.88 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 34 K 7.87 3.76 0.00 1.73 1.81 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 35 T 7.13 3.82 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 0.66 0.00 0.00 36 T 7.43 3.20 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 0.93 0.00 0.00 37 M 6.89 4.15 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 38 G 8.69 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 7.29 5.04 0.00 3.37 3.64 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.54 0.00 2.09 1.97 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 41 L 8.71 4.82 0.00 1.40 1.22 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.74 4.69 1.54 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.53 0.00 0.00 43 M 8.60 5.18 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 44 G 8.33 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 45 R 8.63 3.89 0.00 1.51 1.74 0.00 2.70 0.00 0.00 2.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.00 46 K 7.88 4.07 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 47 N 8.16 4.28 0.00 2.79 3.00 0.00 0.00 6.83 7.56 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 48 Y 8.15 4.21 0.00 3.18 2.97 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 49 E 7.78 4.05 0.00 2.16 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 2.26 2.19 0.00 50 A 7.40 4.34 1.34 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 0.00 0.00 51 I 7.70 3.71 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.47 1.01 0.00 0.00 52 G 8.81 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 0.00 0.00 0.00 53 R 6.94 4.51 0.00 1.85 1.81 0.00 3.01 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 54 P 0.00 4.63 0.00 2.13 2.18 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 55 L 8.53 3.96 0.00 1.56 1.59 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.36 0.00 2.01 1.99 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 57 G 9.76 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 58 R 7.13 4.75 0.00 1.54 1.64 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 59 R 8.45 4.00 0.00 1.74 1.88 0.00 3.07 0.00 0.00 3.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 60 N 8.79 4.85 0.00 2.64 2.74 0.00 0.00 6.93 7.34 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 61 I 8.39 4.85 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 1.28 1.23 0.88 0.00 0.00 62 I 8.71 5.37 1.89 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.26 0.85 0.00 0.00 63 V 8.31 4.90 2.12 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 0.86 0.00 0.00 1.01 0.00 0.00 64 T 8.78 4.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 65 R 8.74 3.94 0.00 1.85 1.89 0.00 3.27 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 66 N 7.89 4.52 0.00 2.69 2.82 0.00 0.00 6.86 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 67 E 8.48 4.04 0.00 1.89 1.90 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 2.28 2.27 0.00 68 G 8.67 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 69 Y 8.09 4.67 0.00 2.91 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 70 H 6.82 4.48 0.00 2.90 2.98 0.00 5.99 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.53 3.96 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 0.34 0.00 0.00 0.97 0.00 0.00 72 E 8.96 3.91 0.00 1.91 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 2.29 2.37 0.00 73 G 8.86 3.93 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 0.00 0.00 0.00 74 C 7.53 5.04 0.00 2.92 2.59 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 75 E 9.11 4.54 0.00 1.81 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 2.17 2.17 0.00 76 V 8.39 4.48 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 0.88 0.00 0.00 0.89 0.00 0.00 77 A 8.62 4.58 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 78 H 8.61 5.64 0.00 3.26 3.27 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.55 4.68 0.00 3.76 3.64 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 80 V 8.00 3.31 1.62 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 -0.47 0.00 0.00 0.05 0.00 0.00 81 E 7.92 4.00 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 82 E 8.00 4.03 0.00 2.27 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 2.40 2.36 0.00 83 V 7.54 3.69 2.12 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 1.04 0.00 0.00 1.05 0.00 0.00 84 F 8.36 4.71 0.00 3.02 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 85 E 8.17 4.23 0.00 2.18 2.19 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 2.30 2.40 0.00 86 L 7.47 4.13 0.00 1.74 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 87 C 7.92 4.62 0.00 3.09 2.97 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 88 K 7.48 3.88 0.00 1.91 2.01 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.45 7.81 89 N 8.09 4.91 0.00 2.71 2.78 0.00 0.00 6.87 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 90 E 8.24 4.54 0.00 2.07 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 2.30 2.40 0.00 91 E 8.77 4.11 0.00 2.05 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 0.00 2.49 2.32 0.00 92 E 8.06 5.26 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.23 0.00 93 I 8.88 4.85 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.95 0.00 0.00 94 F 9.00 6.00 0.00 2.83 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 95 I 8.77 4.19 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 0.00 1.69 1.54 0.68 0.00 0.00 96 F 9.08 4.80 0.00 2.87 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 97 G 7.24 4.54 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 98 G 8.96 4.06 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 0.00 0.00 0.00 99 A 8.91 4.43 1.45 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 0.00 0.00 100 Q 8.03 4.42 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.79 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 101 I 7.49 4.15 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 1.03 0.00 0.00 102 Y 8.39 4.09 0.00 2.95 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 0.00 103 D 7.99 4.52 0.00 2.82 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 0.00 104 L 7.62 4.14 0.00 1.86 1.27 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.18 5.12 0.00 3.52 3.45 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 0.00 106 L 8.23 4.18 0.00 2.00 1.97 1.00 1.04 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 0.00 107 P 0.00 4.39 0.00 0.89 1.73 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 108 Y 8.00 4.88 0.00 3.39 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 0.00 109 V 8.06 4.06 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 0.70 0.00 0.00 0.54 0.00 0.00 110 D 9.97 4.95 0.00 2.68 2.73 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 0.00 0.00 0.00 111 K 8.17 5.37 0.00 1.87 1.71 0.00 1.00 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 112 L 9.16 4.82 0.00 1.87 1.71 0.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.12 4.80 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 9.13 4.90 2.17 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.08 0.93 0.00 0.00 115 T 9.32 5.15 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 1.38 0.00 0.00 116 K 8.89 4.70 0.00 1.79 1.72 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.46 7.81 117 I 7.56 4.56 1.63 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.03 1.02 0.00 0.00 118 H 8.56 4.80 0.00 3.22 3.32 0.00 5.63 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.89 4.92 0.00 2.97 2.22 0.00 5.61 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 0.00 120 A 7.32 5.06 1.12 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 0.00 121 F 8.95 4.75 0.00 3.09 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 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0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 131 D 7.83 4.78 0.00 2.77 1.76 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 *135 W 8.74 5.06 0.00 3.10 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 0.00 136 K 8.82 4.82 0.00 1.88 1.70 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 137 E 8.98 4.81 0.00 2.04 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 2.21 2.28 0.00 138 V 8.65 4.24 2.12 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 0.77 0.00 0.00 1.00 0.00 0.00 139 F 7.83 5.07 0.00 3.10 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 0.00 140 V 7.11 4.81 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 0.56 0.00 0.00 0.87 0.00 0.00 141 E 9.00 4.48 0.00 1.91 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 2.17 2.29 0.00 142 K 8.37 2.99 0.00 1.21 1.23 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.59 0.21 7.81 143 G 7.12 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 0.00 0.00 0.00 144 L 8.18 4.16 0.00 1.62 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.08 4.66 4.18 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 1.27 0.00 0.00 146 D 8.27 5.10 0.00 2.71 2.55 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 0.00 147 E 9.07 4.13 0.00 1.93 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 2.28 2.34 0.00 148 K 7.93 4.28 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.03 7.81 149 N 7.51 5.20 0.00 2.88 2.91 0.00 0.00 7.10 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 0.00 150 P 0.00 4.10 0.00 1.44 1.77 0.00 3.68 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 2.07 0.00 151 Y 7.64 4.83 0.00 3.03 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 0.00 152 T 8.68 4.98 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 1.32 0.00 0.00 153 Y 7.53 5.22 0.00 3.07 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 0.00 154 Y 8.86 4.57 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.34 5.13 0.00 2.95 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 9.35 5.15 0.00 3.06 2.86 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.39 4.81 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 0.60 0.00 0.00 1.12 0.00 0.00 158 Y 8.94 6.01 0.00 3.15 3.24 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 0.00 159 E 8.77 5.05 0.00 1.87 1.74 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 2.31 2.30 0.00 160 K 7.39 2.95 0.00 0.85 1.29 0.00 1.42 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 0.21 7.81 161 Q 8.20 4.29 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.06 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 162 Q 7.93 3.54 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.