NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3407 8.3449 119.1252 55.1139 29.0113 173.6028 4 D 4.4178 7.9353 112.5041 55.8740 41.4236 175.0298 5 P 4.6975 0.0000 0.0000 64.6232 33.6074 177.1274 6 T 4.1786 7.8547 108.7323 62.7547 69.7058 176.6787 7 Q 4.0218 7.8890 121.3116 59.4266 28.6747 178.5188 8 Q 4.1184 8.0290 117.3974 57.8650 28.6517 178.3670 9 L 3.8701 7.6263 121.0474 57.4602 41.5237 178.9356 10 E 3.3360 7.6779 118.9766 58.7408 29.6800 177.0656 11 P 4.1681 0.0000 0.0000 65.4140 31.2910 178.3116 12 F 4.1667 7.8774 119.5382 61.3226 39.2819 177.2001 13 L 3.1546 7.7925 118.8180 57.4930 41.2888 179.7286 14 K 3.8338 7.8974 118.4065 59.2770 31.9232 179.7603 15 R 3.8472 7.9264 118.4692 58.9997 29.8702 178.6678 16 F 4.0491 7.9892 120.6287 61.3607 39.2104 177.1679 17 L 3.5769 7.8274 118.2467 57.6674 41.1823 179.4117 18 A 4.0415 7.8221 119.7904 55.0333 18.2658 179.5279 19 S 4.1719 7.8159 112.9763 61.5221 62.8841 176.7614 20 L 4.0058 7.3057 121.7329 56.7402 41.2591 178.0420 21 D 5.1700 7.3367 116.6467 52.7376 41.3673 176.1133 22 L 4.0327 7.6636 122.1597 55.3343 42.4267 176.1006 23 L 4.4407 8.5670 128.2048 54.2064 42.8345 175.3628 24 Y 4.3214 8.6515 127.9587 57.5822 39.3045 174.5852 25 T 4.4689 7.6204 116.0703 59.8679 72.2643 173.3067 26 Q 3.8710 7.5977 122.1080 55.0577 30.9751 173.1255 *29 S 4.2327 8.5636 110.3034 58.2962 63.2799 173.8938 30 Q 4.6767 8.1814 123.6045 54.2882 31.1901 172.7685 31 P 4.1796 0.0000 0.0000 64.8204 31.6519 177.0019 32 F 4.8518 7.7644 114.7202 54.4102 41.9453 173.3107 33 P 4.5889 0.0000 0.0000 62.9504 31.8391 177.3329 34 N 4.7592 8.9546 118.8167 52.2091 36.6505 176.3788 35 V 3.5790 7.8575 124.0831 65.8207 32.1872 176.8002 36 E 3.9837 8.1837 118.8770 59.3205 29.3929 178.7187 37 S 4.2431 8.0950 112.8603 61.3809 63.3909 175.5628 38 Y 4.2904 8.0579 123.1089 60.7465 38.8147 177.6657 39 A 3.9768 8.4737 122.1486 55.0026 18.2771 179.3395 40 T 4.3365 7.7599 108.3372 63.5484 69.1017 176.2454 41 Q 4.2564 7.6411 119.4492 56.2359 29.0841 175.9185 42 L 4.2337 6.5852 120.3889 54.8167 42.3050 177.1893 43 G 4.0123 8.2680 114.1534 46.4753 0.0000 175.0540 44 S 4.3358 8.1162 113.0131 60.2513 63.7721 174.8848 45 N 5.1509 8.2028 117.4785 54.1839 38.7569 175.0075 46 L 4.3908 7.7061 119.0515 54.4949 42.5089 177.1306 47 K 4.3447 8.2594 121.1994 55.6723 33.3404 178.3955 48 R 3.9896 8.7599 120.9929 58.9804 30.1217 178.5418 49 S 5.1968 7.6649 111.1414 57.5822 63.5924 174.2233 50 S 4.5248 7.7475 115.0958 59.2354 64.1083 173.6512 51 A 4.2792 8.5864 124.6381 51.9650 19.4780 176.5087 52 I 4.8182 8.3848 122.8118 59.4931 41.1751 174.4880 53 I 4.9627 8.3910 126.7019 59.4036 40.8927 174.3304 54 V 4.7428 8.5571 126.7067 61.5830 34.0515 175.4558 55 N 4.0264 10.1039 127.4602 54.3876 36.6173 175.3816 56 G 3.9240 8.5008 104.9173 45.2418 0.0000 173.3785 57 Q 4.5489 7.8255 120.0044 53.2120 29.8892 173.2965 58 P 4.9792 0.0000 0.0000 62.5928 32.6080 175.9611 59 I 4.1367 8.5218 123.6337 61.1478 37.8687 175.3526 60 I 4.4644 8.2889 128.4753 58.8848 38.3269 173.9458 61 P 4.3729 0.0000 0.0000 62.5361 30.6695 176.1008 62 S 4.7780 8.2318 117.0347 55.6389 65.0330 173.3694 63 P 4.5125 0.0000 0.0000 65.7685 31.0941 177.7092 64 Q 4.1800 7.4661 117.1229 57.6192 29.1007 176.1334 65 E 4.5647 8.1267 117.4012 53.5612 32.9210 175.2016 66 D 4.9053 8.5397 124.0809 52.8411 41.9052 176.9680 67 C 4.1704 8.5180 116.9487 62.8068 28.0472 176.3002 68 K 4.0056 8.0523 120.7366 59.3881 31.8125 178.6358 69 L 3.9999 8.4542 120.6539 58.2428 42.0447 178.8289 70 Q 4.0071 8.1320 117.9962 59.0093 28.7093 178.6272 71 F 4.1374 8.4481 121.5609 61.6399 39.1112 177.2215 72 Q 4.0178 8.3925 117.5242 58.8829 28.2473 178.9384 73 K 4.1289 7.9351 118.7946 59.0338 32.4404 179.3327 74 K 4.0789 7.9717 119.0805 59.0033 32.0735 179.1922 75 W 3.7980 8.2124 129.0967 60.1538 30.2984 177.5326 76 L 4.0266 7.8464 119.5249 58.1987 41.4775 178.2911 77 Q 4.1910 7.4590 115.0616 55.7876 29.2972 176.2925 78 T 3.9021 6.6480 110.8479 59.9753 69.5955 172.8226 79 P 4.3558 0.0000 0.0000 62.1174 32.2121 175.6611 80 L 4.2179 8.4754 121.1002 56.2499 42.6919 176.0312 81 S 5.1474 8.9191 119.6218 56.7654 66.2462 173.6395 82 S 4.4541 8.3448 115.1307 57.2278 64.8136 172.2093 83 H 5.3513 9.7394 125.3310 54.4018 30.7278 174.7148 84 Q 4.5035 9.0777 123.5938 53.8147 31.4497 174.3130 85 L 4.5277 8.6892 129.7753 55.7101 42.0085 176.2759 86 T 4.5312 8.6702 116.1436 62.4316 71.0637 174.3620 87 S 4.8522 7.8079 112.0913 57.5270 66.2029 172.8262 88 Y 5.5145 8.1834 121.8167 56.2076 41.0620 173.1093 89 D 4.6338 9.1643 118.9260 53.2924 45.3868 174.0486 90 G 4.7203 8.4812 108.3065 45.3634 0.0000 171.8269 91 H 5.2525 9.3717 120.2741 53.5386 32.0950 172.6950 92 L 4.0607 8.7131 126.0268 54.5319 42.2078 175.8289 93 I 4.2530 8.0880 128.3157 59.2600 38.4489 174.1804 94 P 4.1520 0.0000 0.0000 63.7671 31.7393 176.5307 95 G 3.9351 8.8337 109.4105 46.3555 0.0000 174.1191 96 T 4.3168 7.4131 108.6681 59.9676 70.7541 174.9454 97 G 3.9381 8.2513 109.6365 46.2034 0.0000 172.4976 98 T 5.1427 7.5664 108.1031 59.6508 72.7286 172.6881 99 F 5.0593 9.1059 122.0969 56.5413 41.3212 174.8685 100 V 4.7472 8.7259 122.8598 61.6573 33.3806 174.6846 101 V 4.8270 9.0033 127.8193 61.4439 34.5958 173.4191 102 H 5.5160 9.3161 128.7816 54.5199 31.6899 172.7250 103 F 5.6992 9.2920 121.1924 55.1028 41.8345 173.8580 104 S 5.3248 9.1895 113.4965 56.9713 66.5480 172.5269 105 A 5.2408 8.8931 121.2674 50.8499 23.2061 175.1038 106 K 5.2555 8.7098 118.6692 55.2046 35.6589 175.7528 107 V 5.2509 9.2312 121.4075 60.2018 35.0048 174.3874 108 R 4.9581 8.5004 118.9090 54.4464 33.3661 173.8607 109 F 5.5633 8.5454 116.7846 55.4594 43.4681 173.8753 110 D 4.4040 9.1572 122.4592 54.5266 39.8709 175.7957 111 Q 4.6243 9.1017 124.8239 55.8612 29.4045 177.9677 112 S 4.1161 8.1915 115.7064 59.7232 63.4336 175.3401 113 G 3.9476 7.7020 108.8062 45.0431 0.0000 173.6651 114 R 4.3292 7.2202 118.4147 55.6696 30.9503 176.4578 115 N 4.6984 8.8031 119.4875 51.7254 39.1404 176.0253 116 R 3.9257 8.3118 116.0331 58.9683 30.1057 177.6649 117 L 3.7654 7.8001 115.8466 54.2915 41.6287 177.1364 118 G 3.8887 8.1887 106.7668 45.3978 0.0000 173.2690 119 E 4.6834 8.3919 119.0238 53.9976 31.9927 175.2572 120 S 5.0359 8.6199 115.4827 55.7514 66.0249 174.5827 121 A 4.4242 8.2573 127.0431 51.7165 17.6467 176.9355 122 D 4.9954 7.4161 118.0774 52.4587 40.6347 178.4120 123 L 3.7740 7.9646 123.2627 58.5311 41.9043 178.1820 124 F 4.7217 7.6789 114.9248 59.4326 39.4012 175.8017 125 Q 4.2285 7.6482 119.2509 55.9280 29.0337 176.0085 126 E 4.4721 8.3497 118.8435 55.1698 29.2464 175.9022 127 N 4.6259 8.1827 125.7706 52.5568 41.1176 175.1750 *135 N 4.4625 8.3347 114.8463 53.1488 38.9579 170.7548 136 Q 4.2782 8.4551 121.9483 55.5791 27.6831 176.1215 137 R 4.4691 7.8344 120.5266 53.3640 31.2319 173.6632 138 P 4.0566 0.0000 0.0000 62.9486 31.7758 176.2163 139 I 4.0756 7.8813 121.7992 59.1995 38.5831 174.7859 140 W 4.7638 8.2892 127.5460 56.7348 29.7179 177.4378 141 G 4.1193 8.6659 112.3425 45.7885 0.0000 173.4828 142 S 4.5314 8.6252 115.7121 57.8610 64.0283 174.3884 143 W 4.8373 8.6410 122.1628 57.1351 29.4919 176.0461 144 F 4.7501 10.2896 124.2324 56.5495 40.5987 175.2979 145 G 4.4448 8.9858 109.3466 44.8631 0.0000 172.8894 146 V 5.1396 8.8392 122.0131 60.9132 35.5251 173.3735 147 D 5.2940 9.0582 127.1725 52.4010 43.8452 174.7968 148 V 4.6616 8.3733 125.1023 60.9965 34.9439 173.5749 149 N 5.4357 8.8264 124.7311 51.4400 40.9775 173.8588 150 L 5.0435 9.1913 123.7406 52.8560 45.6929 175.5842 151 V 4.8916 8.3774 122.5412 61.2210 33.5575 174.7867 152 V 4.8981 8.5522 127.2023 59.4483 33.4739 174.8876 153 D 4.6996 8.7828 122.9463 54.8748 41.2379 177.2093 154 E 4.1740 8.7644 123.8966 59.3100 30.2490 177.0692 155 N 4.5653 7.4856 118.4112 52.5975 37.8286 174.9284 156 V 3.5907 7.5107 128.7031 61.1195 30.8263 175.9120 *158 Q 4.0965 7.5029 118.4132 56.2401 30.7212 176.4126 159 D 5.0609 8.5921 121.7998 53.5239 41.6536 175.5659 160 G 4.1651 7.3755 112.6553 45.2046 0.0000 173.3121 161 E 4.3687 8.6179 119.8809 55.3750 28.2839 175.5342 162 I 4.3945 7.9117 115.2641 60.2473 40.4992 174.9994 163 I 4.3983 7.8025 125.6629 60.7579 37.7035 176.4258 164 N 4.5805 9.5047 126.3484 55.9127 40.1305 174.8881 165 S 5.4619 7.3823 110.8034 57.8646 66.6477 172.3329 *167 D 4.4756 8.6022 118.8640 54.8621 42.3160 174.0072 168 Y 4.8467 8.9965 128.5207 55.7086 41.4274 174.4398 169 R 4.9336 8.3874 126.7636 54.4448 33.4069 174.0951 170 F 5.3130 9.5862 127.3031 58.5338 38.5153 175.6493 171 T 4.5450 9.0856 113.5706 62.7908 70.9195 173.9433 172 Y 4.9023 7.7078 122.1750 56.5443 42.4514 173.0659 173 V 3.6874 7.2570 126.0880 59.7986 33.7782 173.4245 174 P 3.9987 0.0000 0.0000 62.0628 31.9404 176.8320 175 N 4.4416 8.5245 121.2964 53.3051 36.6848 175.2766 176 D 4.3187 8.0497 120.9975 53.4745 40.7765 176.3635 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.34 4.34 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.09 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 4 D 7.94 4.42 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.70 0.00 2.55 2.27 0.00 3.85 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 2.18 2.02 0.00 6 T 7.85 4.18 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 1.36 0.00 0.00 7 Q 7.89 4.02 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 8 Q 8.03 4.12 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 9 L 7.63 3.87 0.00 1.70 1.35 0.50 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.68 3.34 0.00 2.03 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 2.20 2.25 0.00 11 P 0.00 4.17 0.00 2.19 2.07 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 12 F 7.88 4.17 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.79 3.15 0.00 1.31 1.01 0.18 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.90 3.83 0.00 1.69 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.49 7.81 15 R 7.93 3.85 0.00 1.97 1.96 0.00 3.49 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 16 F 7.99 4.05 0.00 2.46 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 17 L 7.83 3.58 0.00 1.58 1.59 0.85 0.63 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 18 A 7.82 4.04 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 19 S 7.82 4.17 0.00 4.21 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 0.00 20 L 7.31 4.01 0.00 1.59 1.79 0.27 0.39 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 21 D 7.34 5.17 0.00 2.67 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 22 L 7.66 4.03 0.00 1.76 1.64 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.57 4.44 0.00 1.75 1.65 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.65 4.32 0.00 2.16 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 25 T 7.62 4.47 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 Q 7.60 3.87 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 *29 S 8.56 4.23 0.00 3.88 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 30 Q 8.18 4.68 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 31 P 0.00 4.18 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 32 F 7.76 4.85 0.00 3.00 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 33 P 0.00 4.59 0.00 1.82 1.87 0.00 3.94 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 1.93 1.87 0.00 34 N 8.95 4.76 0.00 3.03 2.94 0.00 0.00 6.85 7.19 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 35 V 7.86 3.58 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 1.14 0.00 0.00 0.89 0.00 0.00 36 E 8.18 3.98 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 37 S 8.10 4.24 0.00 4.15 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 38 Y 8.06 4.29 0.00 3.32 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.47 3.98 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 40 T 7.76 4.34 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 1.32 0.00 0.00 41 Q 7.64 4.26 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 42 L 6.59 4.23 0.00 1.76 1.64 1.00 0.75 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 43 G 8.27 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 44 S 8.12 4.34 0.00 4.03 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 0.00 45 N 8.20 5.15 0.00 3.02 3.06 0.00 0.00 7.63 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 46 L 7.71 4.39 0.00 1.77 1.58 0.63 0.76 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 47 K 8.26 4.34 0.00 1.93 1.71 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.42 7.81 48 R 8.76 3.99 0.00 1.84 2.01 0.00 3.26 0.00 0.00 3.63 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 49 S 7.66 5.20 0.00 3.94 3.91 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 0.00 0.00 0.00 50 S 7.75 4.52 0.00 3.96 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 51 A 8.59 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.38 4.82 1.87 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 1.18 0.95 0.79 0.00 0.00 53 I 8.39 4.96 1.89 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 1.24 0.86 1.00 0.00 0.00 54 V 8.56 4.74 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 0.98 0.00 0.00 1.04 0.00 0.00 55 N 10.10 4.03 0.00 2.85 2.88 0.00 0.00 7.24 7.76 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 56 G 8.50 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 57 Q 7.83 4.55 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 58 P 0.00 4.98 0.00 2.09 2.06 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 59 I 8.52 4.14 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.03 0.00 0.00 60 I 8.29 4.46 1.89 0.00 0.00 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 1.42 0.82 0.92 0.00 0.00 61 P 0.00 4.37 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 62 S 8.23 4.78 0.00 3.98 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 63 P 0.00 4.51 0.00 2.20 2.24 0.00 3.76 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 1.99 2.00 0.00 64 Q 7.47 4.18 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 65 E 8.13 4.56 0.00 1.95 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 2.23 2.23 0.00 66 D 8.54 4.91 0.00 3.04 2.83 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 67 C 8.52 4.17 0.00 3.05 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 68 K 8.05 4.01 0.00 2.06 2.01 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.53 7.81 69 L 8.45 4.00 0.00 1.83 1.85 0.95 0.61 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 70 Q 8.13 4.01 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 71 F 8.45 4.14 0.00 3.16 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 72 Q 8.39 4.02 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 73 K 7.94 4.13 0.00 1.75 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 74 K 7.97 4.08 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.59 7.81 75 W 8.21 3.80 0.00 2.33 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 76 L 7.85 4.03 0.00 1.84 1.93 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.46 4.19 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 78 T 6.65 3.90 3.73 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 0.61 0.00 0.00 79 P 0.00 4.36 0.00 2.35 2.05 0.00 3.45 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 80 L 8.48 4.22 0.00 1.85 1.66 1.18 0.90 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 81 S 8.92 5.15 0.00 3.76 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 82 S 8.34 4.45 0.00 2.72 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 83 H 9.74 5.35 0.00 3.00 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.08 4.50 0.00 1.92 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 85 L 8.69 4.53 0.00 1.58 1.52 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.67 4.53 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 1.12 0.00 0.00 87 S 7.81 4.85 0.00 3.91 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 88 Y 8.18 5.51 0.00 3.04 2.88 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 89 D 9.16 4.63 0.00 2.64 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 90 G 8.48 4.72 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 91 H 9.37 5.25 0.00 3.12 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.71 4.06 0.00 0.91 1.38 0.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.09 4.25 1.83 0.00 0.00 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 1.24 1.15 0.89 0.00 0.00 94 P 0.00 4.15 0.00 2.00 1.94 0.00 3.74 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 1.99 2.04 0.00 95 G 8.83 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 96 T 7.41 4.32 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 97 G 8.25 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 98 T 7.57 5.14 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 1.24 0.00 0.00 99 F 9.11 5.06 0.00 2.95 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 0.00 100 V 8.73 4.75 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 1.03 0.00 0.00 0.97 0.00 0.00 101 V 9.00 4.83 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 102 H 9.32 5.52 0.00 3.25 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.29 5.70 0.00 3.39 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.19 5.32 0.00 3.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.89 5.24 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 0.00 106 K 8.71 5.26 0.00 1.66 1.69 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.79 0.24 7.81 107 V 9.23 5.25 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 1.02 0.00 0.00 0.37 0.00 0.00 108 R 8.50 4.96 0.00 1.75 1.45 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.89 0.00 109 F 8.55 5.56 0.00 2.93 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 0.00 110 D 9.16 4.40 0.00 2.33 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 0.00 111 Q 9.10 4.62 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 112 S 8.19 4.12 0.00 3.87 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 0.00 113 G 7.70 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 0.00 114 R 7.22 4.33 0.00 1.77 1.79 0.00 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0.00 0.00 1.49 1.17 0.00 138 P 0.00 4.06 0.00 0.49 1.40 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 139 I 7.88 4.08 1.72 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 1.12 0.67 0.84 0.00 0.00 140 W 8.29 4.76 0.00 3.05 2.83 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 0.00 141 G 8.67 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 0.00 142 S 8.63 4.53 0.00 3.79 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 0.00 143 W 8.64 4.84 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 10.29 4.75 0.00 3.05 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 0.00 145 G 8.99 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 0.00 0.00 0.00 0.00 146 V 8.84 5.14 2.06 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 0.26 0.00 0.00 1.22 0.00 0.00 147 D 9.06 5.29 0.00 2.79 2.43 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 0.00 148 V 8.37 4.66 0.67 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 0.93 0.00 0.00 0.36 0.00 0.00 149 N 8.83 5.44 0.00 2.52 2.62 0.00 0.00 6.84 7.43 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 0.00 150 L 9.19 5.04 0.00 1.61 1.54 0.87 0.47 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 0.00 151 V 8.38 4.89 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 0.94 0.00 0.00 0.94 0.00 0.00 152 V 8.55 4.90 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 0.66 0.00 0.00 0.53 0.00 0.00 153 D 8.78 4.70 0.00 2.54 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 0.00 154 E 8.76 4.17 0.00 1.92 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 2.30 1.99 0.00 155 N 7.49 4.57 0.00 2.77 2.70 0.00 0.00 7.17 7.59 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 0.00 156 V 7.51 3.59 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 0.75 0.00 0.00 *158 Q 7.50 4.10 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.35 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 159 D 8.59 5.06 0.00 2.68 2.67 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 0.00 160 G 7.38 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 0.00 0.00 0.00 0.00 161 E 8.62 4.37 0.00 1.97 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 2.39 2.30 0.00 162 I 7.91 4.39 1.72 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.84 0.00 0.00 163 I 7.80 4.40 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.83 0.00 0.00 164 N 9.50 4.58 0.00 2.74 2.83 0.00 0.00 6.09 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 0.00 165 S 7.38 5.46 0.00 3.88 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 *167 D 8.60 4.48 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 9.00 4.85 0.00 3.04 2.67 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 0.00 169 R 8.39 4.93 0.00 1.94 1.85 0.00 3.23 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 170 F 9.59 5.31 0.00 3.10 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 0.00 171 T 9.09 4.54 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 1.33 0.00 0.00 172 Y 7.71 4.90 0.00 3.09 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 0.00 173 V 7.26 3.69 1.79 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 0.57 0.00 0.00 0.85 0.00 0.00 174 P 0.00 4.00 0.00 2.07 1.95 0.00 2.20 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 1.47 1.74 0.00 175 N 8.52 4.44 0.00 2.66 2.77 0.00 0.00 6.80 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.05 4.32 0.00 2.83 2.46 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.