NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5523 8.3293 115.6516 57.4281 30.9943 173.5396 11 P 4.4285 0.0000 0.0000 63.7491 32.5045 173.9980 12 L 5.0914 7.7046 122.3008 53.7218 45.2704 175.9853 13 M 4.9676 9.3041 125.6073 53.7189 36.2478 173.8341 14 V 4.8717 8.3351 123.7088 60.9272 35.1962 174.1156 15 K 4.9154 9.0422 127.9509 54.6729 35.4481 174.7909 16 V 4.8064 8.8754 127.2485 61.0558 34.5449 174.2034 17 L 5.1390 8.9325 126.8150 52.9005 46.0738 174.8699 18 D 5.2413 9.0615 121.1294 52.7118 42.6462 176.4868 19 A 4.3127 9.4414 128.7609 53.7846 18.5661 178.5672 20 V 3.9107 9.0258 115.6174 65.0759 31.9335 177.1759 21 R 4.3098 8.5018 115.7496 55.6278 31.1327 175.7935 22 G 3.7993 8.5744 105.3740 45.7703 0.0000 172.4633 23 S 4.7315 7.4143 111.5180 55.8927 67.2765 172.5535 24 P 4.5801 0.0000 0.0000 62.6834 32.0125 176.5991 25 A 4.1678 8.6007 125.5393 51.3031 19.0693 176.5401 26 I 4.2272 8.3130 122.4497 61.2104 39.0687 175.4397 27 N 4.1035 8.4784 122.1206 54.6145 37.9158 173.8896 28 V 4.0640 7.6910 116.6440 61.3381 32.9378 174.9006 29 A 4.5567 8.5534 130.0265 51.9558 19.9854 176.1435 30 V 4.7669 8.7703 121.3886 61.4502 35.2198 173.8152 31 H 5.1835 9.3419 124.7548 53.8638 32.1325 172.8031 32 V 4.9088 8.9477 123.2375 61.1851 34.1703 174.3541 33 F 5.5117 9.5049 125.2571 55.7524 43.3401 173.6563 34 R 4.6517 8.8389 121.5268 54.0973 32.5900 174.9069 35 K 4.0033 8.8978 128.2340 56.3000 32.6837 176.4809 36 A 4.4415 8.6616 129.6617 50.2094 20.7182 177.6662 37 A 3.7705 8.6365 121.8554 55.3842 18.3148 178.3513 38 D 4.5413 7.9036 112.6601 53.2929 39.5422 176.4588 39 D 4.1887 8.0823 117.6896 55.3179 38.9094 173.7137 40 T 4.2742 7.5645 110.1019 60.0928 71.5509 173.5204 41 W 5.1138 8.3983 122.6590 55.6602 30.3136 175.5276 42 E 4.9278 9.2259 123.7393 53.7321 31.4615 173.7475 43 P 4.2408 0.0000 0.0000 63.7955 31.5612 175.2062 44 F 4.8736 8.8226 123.1809 59.5997 41.9372 174.3463 45 A 4.5010 7.6657 117.1238 51.6147 22.3309 174.7687 46 S 4.5985 7.7568 112.6340 58.0193 65.9314 173.9570 47 G 3.9500 7.7544 105.3987 46.2944 0.0000 172.0398 48 K 5.2691 8.5260 118.5337 54.1965 35.1089 176.8746 49 T 4.1933 8.5582 114.5567 61.9771 70.1297 174.9303 50 S 4.6114 8.8930 118.9945 57.4779 64.7645 174.4566 51 E 3.9479 8.7449 119.0175 58.9699 28.4141 178.0663 52 S 4.5336 8.1574 112.8108 57.5022 63.3520 175.0544 53 G 3.7553 8.3064 108.5676 45.9826 0.0000 172.9717 54 E 5.0670 7.3761 115.3176 54.0801 32.9327 175.1653 55 L 4.8733 8.6563 124.0549 53.9442 44.9945 175.0340 56 H 4.9557 8.7025 122.8072 54.0152 32.7477 174.3086 57 G 4.0835 8.6841 105.1730 46.8256 0.0000 175.5223 58 L 3.9753 7.2557 119.5802 57.3901 41.7417 176.8200 59 T 4.3576 7.2009 110.2074 60.3195 70.3711 171.8097 60 T 4.7682 8.0110 112.1683 59.0526 72.8391 174.4465 61 E 4.1139 8.7539 120.4619 59.8134 29.5394 179.0925 62 E 4.1688 8.2354 116.7964 59.4928 29.6483 178.6486 63 E 4.4708 7.8131 115.7340 57.6811 31.1888 177.8582 64 F 5.0366 8.1739 122.2267 56.4974 36.7233 174.9024 65 V 4.0484 7.1652 115.3495 59.4890 33.2533 176.1049 66 E 4.4544 8.0182 120.0559 55.4314 29.9228 177.5015 67 G 3.8141 7.6245 109.2223 45.6561 0.0000 170.3425 68 I 4.8352 7.1630 119.5796 59.7407 39.2052 174.9198 69 Y 5.0401 8.7392 124.6745 55.8589 41.5483 174.5537 70 K 4.7514 8.9509 123.3957 54.4964 35.5425 174.8095 71 V 4.7840 9.0805 127.7239 61.3018 33.7698 173.6434 72 E 4.9195 9.5431 130.3961 54.6097 31.7244 174.4021 73 I 4.5538 9.0575 129.6376 59.4395 39.0637 175.8470 74 D 4.6778 8.8857 129.5611 53.7629 37.5340 176.4145 75 T 3.9205 7.7800 114.7525 64.1259 69.2705 176.5253 76 K 4.1341 8.1111 121.9971 59.6363 32.3888 178.7648 77 S 4.1391 8.3129 115.1775 61.6212 62.3678 176.1533 78 Y 3.9549 7.6626 120.9291 60.6015 38.5860 178.2245 79 W 4.2224 8.2135 119.9516 59.6450 29.1470 178.6592 80 K 4.0163 8.5590 118.5816 59.5230 31.2824 179.2387 81 A 4.0229 7.8810 119.9044 54.7103 18.3526 178.7901 82 L 4.2371 7.2593 114.8444 54.4332 41.9742 177.1982 83 G 3.9160 8.0499 106.9988 46.6076 0.0000 173.5382 84 I 4.4888 7.7779 119.6748 58.7007 39.6953 175.6646 85 S 4.2382 8.7954 120.3883 57.5555 62.5580 171.4906 86 P 4.6840 0.0000 0.0000 60.9034 33.6957 175.1667 87 F 3.8970 8.5063 121.4429 60.9383 39.4411 175.9687 88 H 4.4735 7.8867 115.8073 54.9020 29.5229 175.5042 89 E 4.0049 8.6308 122.3350 59.6658 29.5047 176.1860 90 H 4.7008 7.4616 110.8645 55.8285 31.1248 172.9993 91 A 4.2959 8.4997 120.4991 49.8308 21.3035 175.2810 92 E 4.9974 8.6861 122.3133 54.4176 32.5479 174.8259 93 V 4.4414 9.1659 128.1816 61.2763 33.6235 174.2964 94 V 5.1249 8.5977 128.1795 61.1175 33.5957 174.4182 95 F 5.1699 9.0789 121.8532 55.9716 41.9464 173.1171 96 T 4.9235 8.7087 116.4319 62.4016 69.9093 174.2292 97 A 4.5122 8.7874 129.3458 51.1715 19.9768 175.5907 98 N 5.4286 8.8109 120.5289 51.5114 41.0713 174.8673 99 D 4.6009 9.0691 124.4862 54.7128 41.5310 175.4742 100 S 4.3788 8.3517 119.8544 59.0147 68.4569 176.2113 *103 R 4.3591 8.0423 118.1863 55.9236 30.9172 175.1118 104 R 4.7411 8.6850 121.9098 55.0913 31.8444 174.9170 105 Y 5.0165 9.2226 120.7175 56.5816 40.6479 174.5961 106 T 4.9556 9.0257 121.5996 61.8058 71.4945 173.2311 107 I 4.7609 8.7871 127.8532 59.6689 39.1900 174.4868 108 A 5.2611 8.9393 129.4261 50.1462 21.7655 175.1713 109 A 5.1705 8.9846 122.0505 50.0573 23.2399 174.7412 110 L 5.0252 9.1241 123.6811 53.3027 44.7930 174.9675 111 L 5.3877 9.0993 126.8081 53.3821 44.1839 175.8762 112 S 5.2086 9.4405 118.5521 56.0979 67.2611 173.5990 113 P 3.0122 0.0000 0.0000 64.9988 31.1215 177.8489 114 Y 4.4783 7.8766 112.2150 57.4361 38.4970 174.9865 115 S 4.8155 7.9117 114.6349 57.1759 65.7701 172.1324 116 Y 5.5115 7.8769 121.8458 55.8636 40.9677 174.0360 117 S 4.9043 9.1076 115.9761 57.2313 67.1764 173.0242 118 T 5.2228 8.4095 115.4786 61.1014 70.4469 172.8837 119 T 4.8869 9.2187 123.1833 61.7772 73.4299 172.3637 120 A 5.0454 8.5683 124.6714 50.1813 21.6440 175.9426 121 V 4.1216 8.9766 123.0106 61.1889 33.6084 174.7574 122 V 4.6508 8.3725 128.9178 61.3899 32.9443 174.4850 123 T 4.6560 8.4442 118.1349 59.7490 72.4133 172.4603 124 N 5.0279 8.4784 121.7776 51.0559 40.0914 172.9615 125 P 4.4171 0.0000 0.0000 63.1299 31.3484 176.0897 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 10 C 8.33 4.55 0.00 3.07 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 11 P 0.00 4.43 0.00 2.42 2.51 0.00 3.77 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 1.97 2.24 0.00 12 L 7.70 5.09 0.00 0.86 1.03 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.30 4.97 0.00 1.98 1.79 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 2.32 2.53 0.00 14 V 8.34 4.87 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 0.90 0.00 0.00 0.89 0.00 0.00 15 K 9.04 4.92 0.00 1.80 1.54 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 V 8.88 4.81 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 0.76 0.00 0.00 0.80 0.00 0.00 17 L 8.93 5.14 0.00 1.59 1.51 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.06 5.24 0.00 2.66 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 19 A 9.44 4.31 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 20 V 9.03 3.91 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 0.93 0.00 0.00 0.96 0.00 0.00 21 R 8.50 4.31 0.00 1.94 2.03 0.00 3.42 0.00 0.00 3.59 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 22 G 8.57 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 23 S 7.41 4.73 0.00 3.88 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 24 P 0.00 4.58 0.00 1.93 2.13 0.00 3.67 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 2.19 2.09 0.00 25 A 8.60 4.17 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.31 4.23 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.93 0.00 0.00 27 N 8.48 4.10 0.00 2.85 2.91 0.00 0.00 7.08 7.05 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 28 V 7.69 4.06 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 0.75 0.00 0.00 0.46 0.00 0.00 29 A 8.55 4.56 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.77 4.77 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 0.92 0.00 0.00 0.90 0.00 0.00 31 H 9.34 5.18 0.00 3.03 2.62 0.00 5.62 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 32 V 8.95 4.91 2.26 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 1.28 0.00 0.00 0.96 0.00 0.00 33 F 9.50 5.51 0.00 2.79 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 34 R 8.84 4.65 0.00 1.27 1.57 0.00 2.62 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 35 K 8.90 4.00 0.00 1.15 1.32 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.21 7.81 36 A 8.66 4.44 1.21 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 0.00 0.00 37 A 8.64 3.77 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.90 4.54 0.00 2.71 2.71 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 39 D 8.08 4.19 0.00 2.71 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 40 T 7.56 4.27 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 1.18 0.00 0.00 41 W 8.40 5.11 0.00 2.98 2.92 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 42 E 9.23 4.93 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 43 P 0.00 4.24 0.00 2.00 2.01 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 44 F 8.82 4.87 0.00 2.99 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 45 A 7.67 4.50 1.06 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 46 S 7.76 4.60 0.00 3.58 3.56 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 47 G 7.75 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 48 K 8.53 5.27 0.00 1.57 1.65 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 T 8.56 4.19 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 1.13 0.00 0.00 50 S 8.89 4.61 0.00 3.96 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 51 E 8.74 3.95 0.00 1.97 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 0.00 2.31 2.30 0.00 52 S 8.16 4.53 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.31 3.76 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 0.00 0.00 0.00 54 E 7.38 5.07 0.00 1.91 1.70 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 2.14 2.17 0.00 55 L 8.66 4.87 0.00 1.62 1.39 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.70 4.96 0.00 3.06 3.12 0.00 5.79 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 57 G 8.68 4.08 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 0.00 0.00 0.00 58 L 7.26 3.98 0.00 1.62 1.67 0.86 0.61 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 59 T 7.20 4.36 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 0.94 0.00 0.00 60 T 8.01 4.77 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 1.20 0.00 0.00 61 E 8.75 4.11 0.00 2.02 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 0.00 2.41 2.47 0.00 62 E 8.24 4.17 0.00 1.97 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 2.35 2.51 0.00 63 E 7.81 4.47 0.00 2.11 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 2.40 2.36 0.00 64 F 8.17 5.04 0.00 3.14 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 65 V 7.17 4.05 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 0.83 0.00 0.00 0.98 0.00 0.00 66 E 8.02 4.45 0.00 1.92 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 2.48 2.42 0.00 67 G 7.62 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.16 4.84 1.77 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 0.50 1.10 0.00 0.00 69 Y 8.74 5.04 0.00 1.68 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 70 K 8.95 4.75 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.96 7.81 71 V 9.08 4.78 2.20 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 0.90 0.00 0.00 1.17 0.00 0.00 72 E 9.54 4.92 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 73 I 9.06 4.55 1.73 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 1.04 0.60 0.77 0.00 0.00 74 D 8.89 4.68 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.78 3.92 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 76 K 8.11 4.13 0.00 2.17 1.94 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.31 4.14 0.00 4.04 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 78 Y 7.66 3.95 0.00 2.89 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 79 W 8.21 4.22 0.00 3.49 3.38 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 80 K 8.56 4.02 0.00 2.04 1.89 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.54 7.81 81 A 7.88 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.26 4.24 0.00 1.77 1.73 0.36 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.05 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 84 I 7.78 4.49 2.13 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 1.24 0.95 0.78 0.00 0.00 85 S 8.80 4.24 0.00 3.88 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 86 P 0.00 4.68 0.00 2.26 2.07 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 87 F 8.51 3.90 0.00 1.51 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 88 H 7.89 4.47 0.00 3.27 3.45 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.63 4.00 0.00 1.73 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 0.00 2.16 2.14 0.00 90 H 7.46 4.70 0.00 3.21 3.24 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.50 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.69 5.00 0.00 1.99 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 2.03 2.10 0.00 93 V 9.17 4.44 2.20 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 1.00 0.00 0.00 0.99 0.00 0.00 94 V 8.60 5.12 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 1.10 0.00 0.00 0.86 0.00 0.00 95 F 9.08 5.17 0.00 3.14 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 96 T 8.71 4.92 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 97 A 8.79 4.51 0.68 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 0.00 0.00 98 N 8.81 5.43 0.00 2.72 2.79 0.00 0.00 7.11 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 99 D 9.07 4.60 0.00 2.71 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 0.00 100 S 8.35 4.38 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 R 8.04 4.36 0.00 1.76 1.71 0.00 3.18 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 104 R 8.68 4.74 0.00 1.90 2.04 0.00 2.72 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 105 Y 9.22 5.02 0.00 3.00 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 0.00 106 T 9.03 4.96 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 1.18 0.00 0.00 107 I 8.79 4.76 1.83 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.90 0.89 0.00 0.00 108 A 8.94 5.26 1.20 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 0.00 0.00 0.00 109 A 8.98 5.17 1.18 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 0.00 0.00 110 L 9.12 5.03 0.00 1.78 1.59 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.10 5.39 0.00 1.80 2.00 0.55 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.44 5.21 0.00 3.89 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 0.00 113 P 0.00 3.01 0.00 2.08 1.65 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 0.00 114 Y 7.88 4.48 0.00 2.80 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 0.00 115 S 7.91 4.82 0.00 3.78 3.70 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 0.00 116 Y 7.88 5.51 0.00 3.09 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 0.00 117 S 9.11 4.90 0.00 3.82 3.77 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 0.00 118 T 8.41 5.22 4.43 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 1.35 0.00 0.00 119 T 9.22 4.89 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 1.21 0.00 0.00 120 A 8.57 5.05 1.13 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 0.00 0.00 121 V 8.98 4.12 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 0.89 0.00 0.00 0.90 0.00 0.00 122 V 8.37 4.65 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 0.51 0.00 0.00 0.75 0.00 0.00 123 T 8.44 4.66 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 1.16 0.00 0.00 124 N 8.48 5.03 0.00 2.72 2.74 0.00 0.00 7.04 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.42 0.00 2.22 2.03 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.