NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7776 8.3549 109.7362 44.8189 0.0000 172.6281 *2 P 4.1278 0.0000 0.0000 61.5623 32.3131 176.7595 3 A 4.1106 8.3109 122.5489 52.1534 19.1975 177.2053 4 L 4.1818 8.4604 122.3885 55.2219 43.2135 175.5904 5 I 5.1222 8.4313 127.8903 60.3454 37.9527 175.6052 6 T 4.6011 8.7161 117.0132 62.4983 70.6983 174.2257 7 Y 4.8885 7.7473 121.5582 56.7036 42.2239 173.2602 8 R 5.2332 7.6926 123.9516 55.0880 34.2879 174.0151 9 T 4.4574 8.8032 115.6167 61.8320 71.7968 171.7280 10 T 5.0165 8.1232 120.6641 61.2504 70.7803 174.8536 11 V 3.8157 8.7447 127.4665 63.2577 32.5906 175.4363 12 Q 4.5343 7.8940 125.5545 54.0986 30.4547 176.1732 13 E 3.8901 8.3571 119.5610 58.9482 29.7670 177.7161 14 D 4.7620 7.7181 115.7291 53.4386 39.8882 176.4954 15 W 4.1170 7.9702 119.5181 56.5767 29.8105 175.8484 16 V 4.9551 7.2447 110.6220 59.3007 34.0032 175.4196 17 D 4.8274 8.4362 121.9862 52.3115 41.2120 176.4063 18 Y 4.0364 8.6559 119.0443 60.8333 38.6351 176.6334 19 N 4.4739 8.3494 114.2279 53.1057 39.0773 175.5141 20 G 3.8232 8.5080 107.4654 45.7421 0.0000 172.2352 21 H 5.3798 8.2159 116.7594 53.2979 31.0682 174.2615 22 L 4.4658 8.9263 125.4252 55.7059 42.4142 176.9299 23 R 4.2185 9.3336 127.6952 56.1826 30.7121 176.8118 24 D 4.2358 9.0240 125.2646 57.0140 38.9733 179.1152 25 A 3.8679 7.7231 121.2281 54.3583 18.3593 179.0766 26 F 3.9316 7.9052 115.8823 59.6637 38.4523 177.6947 27 Y 3.7022 7.7875 116.7203 60.9260 37.6136 178.2752 28 L 3.9977 7.8260 120.6735 57.7707 42.1689 178.5209 29 L 3.5027 7.6649 120.5193 57.9745 41.9645 178.9677 30 I 3.5716 7.1222 119.5830 64.5136 36.9531 178.4572 31 F 4.3893 7.7620 118.4608 60.4888 38.6298 177.6866 32 S 4.0248 8.0462 113.0017 61.6518 62.1845 175.8671 33 Y 4.2403 7.6807 119.1926 60.8906 37.3636 178.4292 34 A 4.1003 7.7892 121.7716 55.4996 18.2782 179.7523 35 T 3.8949 7.9492 113.3766 66.8919 68.2968 176.2346 36 D 4.5393 8.3366 120.4984 57.4649 40.9283 178.7582 37 A 4.1712 8.2371 121.2252 54.8387 18.2982 179.8882 38 L 4.0188 8.0554 116.4077 55.9788 41.7702 178.4516 *40 D 4.5977 8.0782 118.9457 53.9845 42.8350 178.2022 41 R 4.0010 8.0756 117.2086 58.9731 30.0313 177.6404 42 I 4.0274 7.7145 108.3931 60.1318 37.9924 175.6467 43 G 3.8277 7.6890 108.5638 46.5874 0.0000 173.8807 44 L 4.0169 8.0984 121.7607 55.5393 42.7732 175.9375 45 D 4.4439 8.9917 126.2387 55.1133 38.5883 175.7571 46 A 4.0567 8.2707 122.3556 54.8262 18.6676 178.8852 47 D 4.8153 8.0574 113.4343 53.9936 41.4129 175.4092 48 S 4.8105 7.7905 114.3998 56.3346 66.0525 174.6981 49 R 4.1402 8.5819 117.9716 58.2244 29.7097 178.0739 50 G 3.8262 7.9786 106.6102 46.2823 0.0000 174.2004 51 Q 4.3111 7.7819 118.5908 57.3130 29.0617 176.2573 52 S 3.9067 8.9283 111.0662 59.0076 60.3396 173.7726 53 G 4.1742 8.2044 107.6706 46.6854 0.0000 175.7421 54 N 4.3914 8.1111 116.9193 56.0766 38.8081 175.7377 55 S 4.7232 8.1757 111.4283 58.2349 64.4772 173.2559 56 L 5.3380 8.1296 120.7794 53.3082 43.7485 175.4745 57 F 4.9240 9.3018 126.3377 56.5023 41.6044 174.8241 58 T 4.2117 7.9822 123.4787 63.4129 68.7617 174.4980 59 L 4.1530 8.4423 127.0683 57.1926 42.2092 177.0085 60 E 4.6535 7.6274 114.6020 55.3576 32.2183 173.6699 61 A 4.8816 8.3539 125.3488 50.9840 22.6068 174.7403 62 H 4.9191 9.2029 120.7557 54.4224 33.0406 172.9844 63 I 4.8442 7.7085 122.9975 59.4167 41.0900 173.5315 64 N 4.7482 8.7199 126.7265 51.6763 40.8875 173.3521 65 Y 4.3091 8.4298 121.2417 56.5604 38.8016 175.2829 66 L 4.3635 8.5433 124.8449 56.5459 43.0645 177.1021 67 H 5.0604 8.2758 114.1913 53.6942 32.9348 173.8093 68 E 4.3220 8.8394 119.9648 56.1168 30.6145 176.2019 69 V 4.3531 8.1993 120.3307 61.2141 34.8258 174.6965 70 K 4.9514 8.5362 126.5682 54.4910 34.5631 175.6469 71 L 3.8203 8.2103 123.5226 57.1075 42.1481 178.0000 72 G 3.9350 8.8310 113.9418 45.4407 0.0000 173.6393 73 T 4.0086 7.6078 117.8379 63.6307 69.5679 173.3374 74 E 4.7602 8.7838 126.1670 55.9551 30.4078 176.2628 75 V 4.9020 9.1177 117.9920 59.2978 36.2980 174.6089 76 W 5.8335 8.6692 118.3119 55.1479 32.3317 173.7277 77 V 5.1704 9.3204 121.2384 61.6327 33.3331 174.3997 78 Q 5.7490 9.1970 126.4372 54.1117 31.3597 174.7531 79 T 5.1374 8.5245 118.2044 62.0418 72.2791 173.2376 80 Q 4.9016 9.2930 124.8272 54.1360 32.6717 174.6391 81 I 4.4855 9.1849 124.3038 60.5039 37.3591 175.9050 82 L 4.2386 9.1493 128.4560 54.9921 42.4630 177.5799 83 G 4.1950 7.6921 109.8338 45.8229 0.0000 171.1822 84 F 5.3998 7.6499 113.3740 55.8390 39.5948 173.6507 85 D 5.1353 8.7981 122.0096 52.5942 40.8711 177.1928 86 R 4.3247 8.8113 114.4880 59.3344 30.5366 177.7509 87 K 3.9874 8.1489 110.5990 56.1674 35.5294 176.0750 88 R 5.2961 9.3254 120.7556 54.5507 33.7415 174.1521 89 L 5.2065 9.0426 124.6359 53.5730 44.7298 174.9023 90 H 5.1809 9.4907 126.6531 54.8263 31.6136 173.5451 91 V 5.0176 8.9243 118.6208 59.7627 36.4155 174.2425 92 Y 4.9487 8.7853 122.7687 56.5204 41.9151 173.5336 93 H 5.3645 8.4649 124.3999 53.9118 31.6332 173.8773 94 S 4.9546 8.9022 115.8952 56.4397 66.7035 172.3426 95 L 5.2870 9.0695 123.9373 54.0117 44.4981 174.8448 96 H 5.0850 8.6915 121.3520 54.1614 33.2267 172.3049 97 R 4.6256 7.8126 114.6962 54.0469 33.2059 174.3451 98 A 4.4674 8.8264 123.2990 53.7713 18.9555 178.1768 99 G 3.9694 9.5908 109.2891 45.5146 0.0000 173.2262 100 F 4.6763 7.8681 121.0324 56.6768 41.5426 174.7926 101 D 4.9548 8.0930 131.9902 52.4328 39.4741 175.4863 102 E 4.7180 6.8929 114.7051 55.2205 33.1714 175.4791 103 V 3.8947 8.2029 113.0094 61.5520 32.5058 176.6948 104 L 4.5093 8.8825 123.5196 57.8023 42.8072 176.6821 105 A 4.8379 7.7678 117.1661 51.2553 22.6569 175.0682 106 A 4.7965 8.3194 119.8678 50.6333 23.3415 175.5186 107 S 5.0003 8.2579 114.4076 56.1387 66.3152 172.2587 108 E 4.9782 8.8121 127.7735 55.3624 31.3979 174.3914 109 Q 4.8810 8.6852 125.7860 53.9895 33.3935 173.4680 *111 L 4.4729 8.4483 119.1653 55.5941 43.8873 175.5502 112 L 5.0978 8.8785 124.7526 53.5633 44.7154 174.6150 113 H 5.1561 9.4547 127.1295 55.9250 30.9111 174.1631 114 V 4.7669 8.5897 119.4551 59.3011 34.4517 174.9837 115 D 4.2466 8.9977 125.1401 54.9175 40.8741 176.6193 116 L 3.5228 8.7197 128.6765 56.5087 41.3198 174.4968 *120 Q 4.0986 7.6652 118.6140 55.9369 30.0739 174.8989 121 S 5.1029 8.6203 120.8799 57.2552 65.4199 173.1835 122 A 4.7815 8.2254 121.5301 49.3112 21.7760 174.5844 123 P 4.5000 0.0000 0.0000 62.6515 32.4746 176.0101 124 F 4.6371 8.5421 121.3018 57.3305 39.6338 176.2160 125 G 3.9402 8.8777 112.2613 44.8937 0.0000 173.6561 126 H 4.0542 9.0952 118.7853 59.9274 29.5427 177.3178 127 T 3.8684 7.9069 116.5742 66.8098 68.2728 176.6041 128 T 3.7218 7.8282 117.1472 66.6344 68.4827 176.5234 129 V 3.3290 7.6727 119.9783 66.2151 31.5396 177.8206 130 C 4.1295 8.0006 116.3250 62.9375 27.9656 176.3999 131 R 3.9368 8.0151 119.6239 59.0372 29.6028 179.0745 132 L 3.8254 7.9816 119.1831 57.8665 41.4536 179.3288 133 N 4.4660 8.5635 116.8208 56.4153 38.4336 176.8693 134 H 4.1113 8.3420 119.6316 59.3333 29.7609 177.2569 135 L 3.9288 7.6918 119.1719 57.7649 41.6787 179.2663 136 V 3.7564 7.9051 118.0915 66.2867 31.2360 177.8247 137 E 3.9643 8.1710 116.9528 59.5019 29.3925 178.7397 138 Q 4.2398 7.6493 114.6605 56.9518 29.2354 177.0716 139 Q 4.3897 8.1007 119.8409 56.0132 28.7132 177.1734 140 E 3.9679 8.2184 121.1027 59.0857 29.6274 178.1382 141 G 3.7991 7.9180 104.7783 45.8832 0.0000 173.8538 142 A 4.1620 7.3984 122.8577 51.5570 18.9756 177.1913 143 Q 4.0092 8.5260 121.9485 55.5526 29.7220 176.2169 144 A 3.9715 8.4430 128.1456 51.5256 18.9868 175.2728 145 P 3.7866 0.0000 0.0000 62.4567 31.6090 176.4715 146 Q 3.7508 8.7382 125.1539 58.4079 29.2715 175.2279 147 Y 4.3230 7.9806 116.9253 56.6372 37.8668 175.7311 *149 G 3.8261 8.3906 114.9475 45.1193 0.0000 172.1706 150 R 4.2504 7.8953 118.1295 55.5286 30.9863 176.2217 151 T 4.7224 7.9878 109.8697 59.9332 71.9730 173.1408 152 I 4.4322 8.1158 123.6068 60.0964 38.7010 175.5093 153 K 4.5588 8.0035 121.1513 55.5447 34.9347 175.5038 154 L 4.1930 8.3502 121.8783 53.7063 42.2998 175.3969 155 P 4.3223 0.0000 0.0000 62.5589 31.9176 176.2116 156 A 4.1488 8.4686 122.1044 52.6628 18.2816 177.4202 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 0 G 8.35 3.78 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 0.00 0.00 0.00 *2 P 0.00 4.13 0.00 2.05 2.01 0.00 3.68 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 1.89 2.07 0.00 3 A 8.31 4.11 1.31 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 0.00 0.00 0.00 4 L 8.46 4.18 0.00 1.82 1.77 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.43 5.12 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.99 0.00 0.00 6 T 8.72 4.60 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 1.31 0.00 0.00 7 Y 7.75 4.89 0.00 3.19 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 8 R 7.69 5.23 0.00 1.55 1.77 0.00 3.24 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 9 T 8.80 4.46 4.30 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 1.63 0.00 0.00 10 T 8.12 5.02 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 1.20 0.00 0.00 11 V 8.74 3.82 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 1.02 0.00 0.00 0.97 0.00 0.00 12 Q 7.89 4.53 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 13 E 8.36 3.89 0.00 1.93 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 2.33 2.25 0.00 14 D 7.72 4.76 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.97 4.12 0.00 3.32 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 16 V 7.24 4.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 17 D 8.44 4.83 0.00 3.00 2.91 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 18 Y 8.66 4.04 0.00 2.88 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 19 N 8.35 4.47 0.00 2.82 2.74 0.00 0.00 7.03 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 20 G 8.51 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 0.00 0.00 0.00 21 H 8.22 5.38 0.00 3.42 3.23 0.00 5.66 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 22 L 8.93 4.47 0.00 1.56 1.34 0.97 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.33 4.22 0.00 2.09 2.10 0.00 3.01 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 24 D 9.02 4.24 0.00 2.57 2.31 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 0.00 25 A 7.72 3.87 0.90 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 0.00 0.00 26 F 7.91 3.93 0.00 2.96 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 0.00 0.00 0.00 27 Y 7.79 3.70 0.00 3.03 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 28 L 7.83 4.00 0.00 1.71 1.71 0.97 0.45 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 29 L 7.66 3.50 0.00 1.47 1.29 0.42 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.12 3.57 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.14 1.05 0.00 0.00 31 F 7.76 4.39 0.00 3.11 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 32 S 8.05 4.02 0.00 3.84 3.63 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 33 Y 7.68 4.24 0.00 2.26 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 0.00 0.00 0.00 0.00 34 A 7.79 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.95 3.89 4.45 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 1.26 0.00 0.00 36 D 8.34 4.54 0.00 2.93 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 37 A 8.24 4.17 1.57 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 0.00 0.00 38 L 8.06 4.02 0.00 1.93 1.87 0.94 1.15 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 *40 D 8.08 4.60 0.00 2.98 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 41 R 8.08 4.00 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 42 I 7.71 4.03 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 0.84 0.00 0.00 43 G 7.69 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.10 4.02 0.00 1.55 1.60 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.99 4.44 0.00 2.93 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 46 A 8.27 4.06 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 47 D 8.06 4.82 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.79 4.81 0.00 4.00 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 49 R 8.58 4.14 0.00 1.84 2.05 0.00 3.22 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 G 7.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.78 4.31 0.00 2.28 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.30 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 52 S 8.93 3.91 0.00 4.07 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 53 G 8.20 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 54 N 8.11 4.39 0.00 2.96 2.96 0.00 0.00 6.93 7.48 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 55 S 8.18 4.72 0.00 3.99 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 56 L 8.13 5.34 0.00 1.75 1.70 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.30 4.92 0.00 3.04 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 58 T 7.98 4.21 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 1.10 0.00 0.00 59 L 8.44 4.15 0.00 1.65 1.76 0.99 1.15 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 60 E 7.63 4.65 0.00 1.93 1.71 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 2.20 2.22 0.00 61 A 8.35 4.88 1.14 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 62 H 9.20 4.92 0.00 3.18 3.14 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.71 4.84 1.67 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.72 0.69 0.00 0.00 64 N 8.72 4.75 0.00 2.20 2.32 0.00 0.00 6.51 7.54 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 65 Y 8.43 4.31 0.00 2.54 2.49 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 0.00 0.00 0.00 0.00 66 L 8.54 4.36 0.00 1.78 1.65 0.80 0.59 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 67 H 8.28 5.06 0.00 3.03 3.06 0.00 5.66 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 68 E 8.84 4.32 0.00 1.68 1.82 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 2.14 1.83 0.00 69 V 8.20 4.35 1.80 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 0.89 0.00 0.00 0.83 0.00 0.00 70 K 8.54 4.95 0.00 1.73 1.69 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.43 7.81 71 L 8.21 3.82 0.00 1.53 1.59 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.83 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 73 T 7.61 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 74 E 8.78 4.76 0.00 1.94 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 2.31 2.35 0.00 75 V 9.12 4.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.04 0.00 0.00 76 W 8.67 5.83 0.00 3.52 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 77 V 9.32 5.17 2.38 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 1.23 0.00 0.00 1.29 0.00 0.00 78 Q 9.20 5.75 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 79 T 8.52 5.14 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 1.26 0.00 0.00 80 Q 9.29 4.90 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 81 I 9.18 4.49 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 1.06 0.00 0.00 82 L 9.15 4.24 0.00 1.29 1.55 0.74 0.69 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 83 G 7.69 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 0.00 0.00 0.00 0.00 84 F 7.65 5.40 0.00 3.35 3.01 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 85 D 8.80 5.14 0.00 2.94 2.77 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 86 R 8.81 4.32 0.00 1.92 2.04 0.00 3.08 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 87 K 8.15 3.99 0.00 1.57 1.74 0.00 1.18 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.37 7.81 88 R 9.33 5.30 0.00 1.99 1.93 0.00 3.10 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 89 L 9.04 5.21 0.00 1.72 1.63 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 90 H 9.49 5.18 0.00 3.25 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.92 5.02 1.96 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 0.68 0.00 0.00 0.86 0.00 0.00 92 Y 8.79 4.95 0.00 2.90 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 93 H 8.46 5.36 0.00 1.65 2.11 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.90 4.95 0.00 3.84 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 95 L 9.07 5.29 0.00 1.92 1.61 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.69 5.09 0.00 1.40 2.18 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.81 4.63 0.00 1.77 1.81 0.00 2.89 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 98 A 8.83 4.47 1.48 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 0.00 0.00 0.00 99 G 9.59 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 0.00 0.00 0.00 100 F 7.87 4.68 0.00 2.74 2.91 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 0.00 101 D 8.09 4.95 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 6.89 4.72 0.00 2.03 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 1.47 2.35 0.00 103 V 8.20 3.89 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 0.76 0.00 0.00 1.03 0.00 0.00 104 L 8.88 4.51 0.00 1.66 1.81 0.78 0.75 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 0.00 105 A 7.77 4.84 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 0.00 106 A 8.32 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.26 5.00 0.00 3.69 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 0.00 108 E 8.81 4.98 0.00 2.27 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 2.45 2.47 0.00 109 Q 8.69 4.88 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.33 0.00 0.00 0.00 0.00 0.00 2.22 2.07 0.00 *111 L 8.45 4.47 0.00 1.72 1.70 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.88 5.10 0.00 1.84 1.82 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.45 5.16 0.00 3.11 2.94 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.59 4.77 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 0.99 0.00 0.00 115 D 9.00 4.25 0.00 2.55 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 0.00 116 L 8.72 3.52 0.00 1.80 1.75 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 *120 Q 7.67 4.10 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 121 S 8.62 5.10 0.00 3.93 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 0.00 122 A 8.23 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.50 0.00 2.10 2.05 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 124 F 8.54 4.64 0.00 3.01 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 0.00 125 G 8.88 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 0.00 126 H 9.10 4.05 0.00 3.23 3.38 0.00 5.68 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 0.00 127 T 7.91 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 128 T 7.83 3.72 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 0.75 0.00 0.00 129 V 7.67 3.33 2.24 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 1.30 0.00 0.00 1.13 0.00 0.00 130 C 8.00 4.13 0.00 3.10 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 0.00 131 R 8.02 3.94 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 132 L 7.98 3.83 0.00 1.19 1.09 -0.43 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.56 4.47 0.00 2.90 2.93 0.00 0.00 6.69 7.70 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 0.00 134 H 8.34 4.11 0.00 3.34 3.51 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 0.00 135 L 7.69 3.93 0.00 1.81 1.71 0.90 0.86 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 0.00 136 V 7.91 3.76 2.33 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 1.15 0.00 0.00 1.07 0.00 0.00 137 E 8.17 3.96 0.00 2.12 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 2.36 2.52 0.00 138 Q 7.65 4.24 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 139 Q 8.10 4.39 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 140 E 8.22 3.97 0.00 1.95 2.02 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 2.53 2.26 0.00 141 G 7.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.40 4.16 1.37 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 0.00 0.00 143 Q 8.53 4.01 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 144 A 8.44 3.97 1.17 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 0.00 145 P 0.00 3.79 0.00 1.41 0.49 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 146 Q 8.74 3.75 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 1.40 2.04 0.00 147 Y 7.98 4.32 0.00 3.27 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 *149 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.90 4.25 0.00 1.56 1.85 0.00 3.38 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 151 T 7.99 4.72 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 1.20 0.00 0.00 152 I 8.12 4.43 1.90 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 1.52 0.69 0.93 0.00 0.00 153 K 8.00 4.56 0.00 2.09 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 1.01 7.81 154 L 8.35 4.19 0.00 1.66 1.64 0.92 1.04 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 0.00 155 P 0.00 4.32 0.00 2.18 2.06 0.00 3.77 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 1.99 1.97 0.00 156 A 8.47 4.15 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 * Residues marked with a * may have inaccurate shift predictions.