NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4709 8.3193 116.7974 59.6400 64.5887 173.1572 10 I 3.3716 7.3828 112.4068 59.6091 38.5224 172.6307 11 K 4.5713 9.0381 121.9635 54.3087 37.1626 174.6202 12 P 4.1693 0.0000 0.0000 63.1753 32.1207 176.5969 *15 T 4.3700 8.3335 115.6789 62.0002 70.3815 175.1302 16 R 5.0327 7.3158 128.0051 56.1796 33.0507 176.1438 17 R 4.5573 7.9049 124.3091 55.7307 29.3696 177.7293 18 E 5.3308 8.6933 115.4708 58.1252 36.5576 175.9797 19 Y 4.4983 8.3717 115.6242 59.4166 38.8272 176.5269 20 I 4.0320 7.3062 112.0815 61.6669 38.6073 176.1397 21 S 4.3189 7.6522 126.4198 56.4518 64.1403 174.2154 22 G 4.5141 8.4762 115.0260 46.9636 0.0000 170.6942 23 I 3.5644 8.7018 127.0302 61.5389 34.5662 171.7932 24 P 4.7698 0.0000 0.0000 61.8995 30.6243 177.2097 25 G 3.8188 9.1529 106.2211 45.3068 0.0000 173.2841 26 K 3.7206 9.1526 116.4412 58.4820 31.7844 176.2601 27 G 3.7571 8.0010 106.5679 47.3032 0.0000 174.7840 28 I 4.6776 7.4795 133.1511 60.2492 39.3092 178.2077 29 A 4.5037 9.0883 127.9386 55.0177 19.1880 175.9953 30 Q 2.9784 7.4930 119.1678 57.0958 29.7140 173.8107 31 F 4.9697 8.7941 115.3085 58.1907 42.1891 175.7180 32 K 5.1125 8.2069 117.2755 55.2256 34.5222 175.4820 33 M 4.6641 9.4767 123.7942 54.6615 36.4775 173.8946 34 G 4.4951 9.3535 107.9149 44.6500 0.0000 171.9391 35 N 5.0371 8.6185 114.5674 52.5109 43.0108 174.2772 36 N 4.3163 7.9947 113.8643 52.0394 42.6160 175.3589 *41 T 4.1938 8.2427 111.1107 63.6710 69.7192 173.7452 42 Y 4.7630 8.7497 120.9498 59.3471 40.6458 175.0383 43 P 4.0023 0.0000 0.0000 64.0200 29.8869 177.1067 44 A 3.5015 8.3160 127.5924 49.8255 19.5018 179.0883 45 Q 3.6678 8.2747 121.9826 55.5947 29.7633 175.2570 46 V 4.6100 7.8403 125.1260 61.2907 33.7225 174.6518 47 E 5.2430 8.8935 124.3374 56.0067 33.9713 173.0672 48 N 5.9499 9.0205 117.9624 50.9613 41.4276 173.3261 49 V 4.6480 8.9406 124.7250 61.6908 36.0797 173.2704 50 V 5.0413 8.0708 122.9595 61.0450 35.0087 174.7603 51 E 5.0504 7.8432 114.2003 55.4586 28.8718 173.6393 52 K 4.7847 7.9069 118.7345 54.8103 37.8536 174.7698 53 P 5.5589 0.0000 0.0000 60.4829 33.0923 174.4302 54 V 4.2193 9.1628 122.6222 60.7979 35.0339 172.6909 55 Q 4.6529 8.8743 121.9861 55.2945 26.8313 174.3312 56 I 3.5710 8.8763 123.1265 61.9320 38.7113 175.7263 57 R 4.3916 9.3577 126.3345 58.5594 28.4851 178.7783 58 H 3.3521 9.9994 113.3885 54.8555 29.7863 177.4751 59 N 4.3086 8.3612 113.9214 55.9881 38.5447 177.4280 60 A 3.3365 7.3346 117.4428 52.1001 20.3738 178.8397 61 L 3.7293 8.7795 114.5549 57.7419 42.1230 180.0576 62 E 3.8409 8.7833 117.6923 59.9026 29.6764 179.1074 63 A 4.0430 9.2921 120.7991 53.7026 18.0632 180.9828 64 A 3.6268 7.6942 117.1898 53.5305 20.0130 179.4080 65 R 3.7227 8.5571 115.4729 59.9711 30.2548 178.8123 66 N 4.6227 9.2349 117.8968 55.8600 38.6811 176.8396 67 A 4.1960 8.5126 122.7528 54.9783 18.2249 179.0027 68 A 4.1332 8.4006 118.6660 55.6793 18.8136 179.1404 69 N 4.2205 8.7188 114.8445 56.7650 36.9828 176.6593 70 R 3.9227 8.3540 119.9622 59.2928 30.3681 178.6599 71 F 4.2377 9.2052 117.2540 60.3912 39.0227 175.9789 72 V 4.1457 8.3430 115.7805 62.3299 32.8771 175.0928 73 Q 4.3726 8.5913 118.0134 55.6655 27.9140 173.4058 74 N 4.9716 7.3800 111.0492 52.3384 36.6986 177.2686 75 S 4.2881 8.9716 109.4207 57.9645 63.2436 171.5952 76 G 2.8588 7.6417 116.0649 45.0019 0.0000 173.5777 *82 K 4.0227 7.6519 118.7636 56.2586 34.1505 177.3815 83 F 4.1731 8.8851 127.7551 55.7205 37.9378 175.3198 84 R 5.0089 8.6311 120.0484 54.8645 32.8961 177.5796 85 I 4.6412 8.0589 115.7649 58.4761 39.4841 176.5214 86 R 4.3986 8.4145 131.7623 54.6272 27.5267 175.7444 87 K 3.4982 6.1408 117.2132 54.4610 36.9230 176.2279 88 F 4.8976 7.6946 112.7920 55.9489 39.4568 171.4682 89 P 5.0408 0.0000 0.0000 62.2445 31.7440 175.4449 90 F 5.0062 9.6071 122.0839 56.9911 41.1635 173.8757 91 H 5.2183 8.3185 114.5807 54.3455 32.4930 172.0894 92 V 5.0485 8.0475 109.4589 60.2024 35.6171 175.3447 93 I 4.2736 8.7310 125.1961 61.2642 38.8897 174.5829 94 R 5.0041 7.8098 122.3270 56.2475 33.1966 174.2401 95 E 4.7815 9.2416 118.4648 58.4005 34.9611 174.2072 96 Q 3.6038 7.6141 119.9128 55.9747 29.3377 177.9133 97 D 4.9399 7.9736 126.0922 52.0798 41.9448 176.0758 98 G 4.8075 6.6006 118.7927 45.9325 0.0000 170.9385 99 D 4.7305 8.1208 120.1524 52.6777 43.5139 177.1967 100 G 4.3033 7.1170 114.8006 45.8893 0.0000 171.9801 101 M 4.7479 7.6730 120.1114 55.7042 38.1937 175.8023 102 R 3.7711 7.4272 117.8525 57.5885 30.6711 176.2506 103 A 4.1552 7.6114 133.7846 50.6101 18.3551 175.8010 104 P 4.6647 0.0000 0.0000 62.0723 32.0180 177.8659 105 F 4.1285 8.9202 127.4563 57.6803 37.8219 178.7934 106 G 4.3421 8.9128 121.1108 45.8598 0.0000 171.6486 107 K 4.5285 8.2003 128.9891 54.8847 33.8530 175.2362 108 S 5.2320 8.4556 121.9424 57.3695 64.6742 173.5877 109 V 4.0914 9.1899 115.0250 61.8938 36.3261 171.2537 110 G 3.5694 8.7269 113.3856 46.1242 0.0000 170.8411 111 T 4.9782 7.5964 120.4978 62.6729 70.7918 173.6663 112 A 5.2785 8.9474 126.7400 51.3026 23.3343 174.1460 113 A 4.9733 8.7599 117.5064 50.3516 23.0749 176.4571 114 R 4.5403 8.7398 121.2540 55.6258 29.9257 175.5959 115 S 4.2697 9.2399 122.3569 57.7197 63.7522 175.2482 116 H 4.7748 7.9837 125.1295 56.3945 27.5410 177.4990 117 G 4.2536 8.8490 103.5196 46.3443 0.0000 169.4655 118 A 5.2327 7.9937 125.5161 52.5215 19.0015 177.7925 119 N 4.4289 8.3379 120.8715 52.1909 38.1594 172.7853 120 H 4.2016 8.5214 116.6584 56.6725 30.3139 174.1952 121 D 4.0608 8.8558 127.5626 54.7396 41.2793 177.5616 122 F 5.5677 5.4600 112.6772 55.7334 43.4218 175.0649 123 I 5.1362 9.1206 122.2666 60.0214 40.6210 174.6355 124 A 5.4313 9.0678 125.4809 48.3919 19.3020 172.9415 125 W 4.7920 7.9648 129.0704 55.4690 32.4650 175.0213 126 V 3.8156 7.1516 125.9154 63.0141 34.4559 170.3425 127 N 4.2078 9.1215 121.3493 54.1540 38.7824 174.0056 128 P 4.7182 0.0000 0.0000 61.4858 33.0904 174.0361 129 D 4.6797 7.8950 127.4974 51.1265 41.5180 174.0223 130 P 3.7058 0.0000 0.0000 65.2220 31.2779 178.0045 131 A 3.9939 7.3288 120.6896 55.4396 18.1520 179.3555 132 V 3.4722 7.9991 116.3169 66.2882 31.4671 177.7643 133 E 3.7435 7.5438 116.3670 59.7464 29.0441 178.7825 134 F 4.3662 7.1454 118.5805 60.3625 39.3262 177.2162 135 A 4.1405 8.3345 119.5181 55.3776 18.1526 179.2368 136 W 4.8715 8.8233 116.4339 60.8984 29.2790 179.2496 137 R 3.9503 8.6129 118.4039 59.9111 29.8134 177.5388 138 R 3.7041 8.5798 117.3872 59.4100 29.9197 178.5933 139 A 3.8364 7.8252 119.2774 56.4740 18.4079 178.1578 140 Y 3.8774 8.8238 115.3601 59.9056 37.3933 178.8305 141 M 3.8652 8.1444 123.8863 57.3301 32.8946 178.7535 142 K 3.5912 9.0119 115.1745 59.6137 32.3596 177.7751 143 V 3.0591 5.4500 111.2822 58.4637 35.9569 174.1730 144 T 4.3937 8.4346 107.4078 62.6598 70.2091 173.2577 145 P 4.5938 0.0000 0.0000 61.7579 30.2442 174.4423 146 T 3.3701 8.7153 117.7915 63.9681 69.3175 172.3089 147 V 3.1704 7.3899 121.6025 60.7704 31.9342 170.8134 148 N 4.9763 8.5546 122.1091 51.9194 41.0438 173.5275 149 I 3.8960 8.1394 127.2333 60.6581 38.4303 174.6630 150 D 4.6464 8.8285 125.2076 53.0190 43.1495 173.9235 151 S 6.2192 8.5232 113.3047 55.9752 65.9395 173.9554 152 S 4.3982 9.1496 117.0487 57.7219 65.7343 172.7018 153 P 4.1526 0.0000 0.0000 61.5539 27.5137 172.2493 154 A 4.1095 8.8921 132.0243 51.9341 16.7846 176.4521 155 G 3.8797 7.5370 107.4869 43.9260 0.0000 171.8878 156 N 4.1531 8.4040 124.8604 52.5077 44.5474 173.4639 157 A 4.0099 8.4683 125.1543 52.2845 18.6137 177.0426 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 9 S 8.32 4.47 0.00 3.90 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 10 I 7.38 3.37 1.88 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 1.42 0.63 0.92 0.00 0.00 11 K 9.04 4.57 0.00 1.76 1.82 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.38 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.51 7.81 12 P 0.00 4.17 0.00 2.08 2.06 0.00 3.80 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 2.08 2.42 0.00 *15 T 8.33 4.37 4.28 0.00 0.00 0.00 0.00 0.00 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 16 R 7.32 5.03 0.00 1.95 1.60 0.00 2.50 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.00 17 R 7.90 4.56 0.00 1.88 1.98 0.00 3.36 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 18 E 8.69 5.33 0.00 2.25 2.03 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 2.35 2.35 0.00 19 Y 8.37 4.50 0.00 2.87 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.31 4.03 1.91 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 1.53 0.73 0.95 0.00 0.00 21 S 7.65 4.32 0.00 3.95 3.89 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 22 G 8.48 4.51 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 0.00 0.00 0.00 23 I 8.70 3.56 1.88 0.00 0.00 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 1.50 0.59 0.92 0.00 0.00 24 P 0.00 4.77 0.00 2.15 1.06 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 25 G 9.15 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 26 K 9.15 3.72 0.00 1.82 1.67 0.00 1.68 0.00 0.00 0.63 0.00 0.00 2.79 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.07 1.32 7.81 27 G 8.00 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 28 I 7.48 4.68 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 1.01 0.00 0.00 29 A 9.09 4.50 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 30 Q 7.49 2.98 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 31 F 8.79 4.97 0.00 2.93 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 32 K 8.21 5.11 0.00 1.75 1.87 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.51 7.81 33 M 9.48 4.66 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.27 0.00 34 G 9.35 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.62 5.04 0.00 2.67 2.61 0.00 0.00 6.61 6.71 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 36 N 7.99 4.32 0.00 2.75 2.39 0.00 0.00 7.13 7.87 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 *41 T 8.24 4.19 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 42 Y 8.75 4.76 0.00 2.98 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.00 0.00 2.07 1.81 0.00 4.06 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 44 A 8.32 3.50 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.27 3.67 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 3.48 2.52 0.00 46 V 7.84 4.61 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.74 0.00 0.00 47 E 8.89 5.24 0.00 2.16 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 0.00 2.63 2.46 0.00 48 N 9.02 5.95 0.00 1.44 1.97 0.00 0.00 6.51 7.28 0.00 0.00 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 V 8.94 4.65 2.17 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 0.85 0.00 0.00 0.89 0.00 0.00 50 V 8.07 5.04 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 0.91 0.00 0.00 0.68 0.00 0.00 51 E 7.84 5.05 0.00 1.99 2.03 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 2.25 2.25 0.00 52 K 7.91 4.78 0.00 1.62 1.70 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 53 P 0.00 5.56 0.00 2.04 2.01 0.00 3.41 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 54 V 9.16 4.22 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 0.83 0.00 0.00 0.95 0.00 0.00 55 Q 8.87 4.65 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 56 I 8.88 3.57 2.00 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 1.73 1.09 0.95 0.00 0.00 57 R 9.36 4.39 0.00 1.74 1.88 0.00 3.33 0.00 0.00 3.44 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 58 H 10.00 3.35 0.00 3.61 3.61 0.00 5.49 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.36 4.31 0.00 2.87 2.77 0.00 0.00 6.65 7.83 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 60 A 7.33 3.34 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.78 3.73 0.00 1.71 1.70 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.78 3.84 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.79 0.00 63 A 9.29 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.69 3.63 1.35 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 0.00 0.00 0.00 65 R 8.56 3.72 0.00 2.05 1.85 0.00 2.67 0.00 0.00 2.64 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.26 0.00 66 N 9.23 4.62 0.00 2.76 3.10 0.00 0.00 6.56 7.99 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 67 A 8.51 4.20 1.60 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 0.00 0.00 68 A 8.40 4.13 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 0.00 0.00 0.00 0.00 0.00 69 N 8.72 4.22 0.00 2.94 3.26 0.00 0.00 7.08 6.93 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 70 R 8.35 3.92 0.00 2.01 1.95 0.00 3.36 0.00 0.00 3.28 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 71 F 9.21 4.24 0.00 3.18 3.31 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 72 V 8.34 4.15 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 1.05 0.00 0.00 1.42 0.00 0.00 73 Q 8.59 4.37 0.00 2.08 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 74 N 7.38 4.97 0.00 2.75 1.98 0.00 0.00 5.93 7.64 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 75 S 8.97 4.29 0.00 3.85 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 76 G 7.64 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 0.00 0.00 0.00 *82 K 7.65 4.02 0.00 2.12 1.91 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.78 7.81 83 F 8.89 4.17 0.00 3.24 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 84 R 8.63 5.01 0.00 1.87 1.89 0.00 3.09 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 85 I 8.06 4.64 0.68 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.52 1.04 0.00 0.00 86 R 8.41 4.40 0.00 2.18 2.03 0.00 3.24 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 87 K 6.14 3.50 0.00 1.68 1.52 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.58 7.81 88 F 7.69 4.90 0.00 3.37 3.41 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 89 P 0.00 5.04 0.00 2.24 2.29 0.00 4.10 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 90 F 9.61 5.01 0.00 2.77 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 91 H 8.32 5.22 0.00 3.18 3.42 0.00 5.44 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.05 5.05 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 0.69 0.00 0.00 0.95 0.00 0.00 93 I 8.73 4.27 1.92 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 1.10 0.77 0.91 0.00 0.00 94 R 7.81 5.00 0.00 1.73 1.75 0.00 3.46 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 95 E 9.24 4.78 0.00 2.00 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 2.10 2.29 0.00 96 Q 7.61 3.60 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.59 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 97 D 7.97 4.94 0.00 2.67 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 98 G 6.60 4.81 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 99 D 8.12 4.73 0.00 2.68 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 0.00 100 G 7.12 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 0.00 0.00 0.00 0.00 101 M 7.67 4.75 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 102 R 7.43 3.77 0.00 1.83 1.81 0.00 3.25 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 103 A 7.61 4.16 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 0.00 104 P 0.00 4.66 0.00 2.17 2.09 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 105 F 8.92 4.13 0.00 3.09 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.91 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 0.00 0.00 0.00 0.00 107 K 8.20 4.53 0.00 2.09 1.72 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.58 7.81 108 S 8.46 5.23 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.19 4.09 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 0.55 0.00 0.00 0.99 0.00 0.00 110 G 8.73 3.57 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 0.00 111 T 7.60 4.98 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 1.28 0.00 0.00 112 A 8.95 5.28 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 0.00 113 A 8.76 4.97 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 0.00 114 R 8.74 4.54 0.00 1.88 1.93 0.00 3.29 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 115 S 9.24 4.27 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.98 4.77 0.00 3.32 3.51 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.85 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 0.00 118 A 7.99 5.23 1.36 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 0.00 0.00 119 N 8.34 4.43 0.00 3.10 3.19 0.00 0.00 6.22 7.90 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 0.00 120 H 8.52 4.20 0.00 3.12 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.86 4.06 0.00 2.22 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 0.00 0.00 0.00 122 F 5.46 5.57 0.00 2.36 3.03 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 0.00 123 I 9.12 5.14 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 1.38 0.00 0.00 124 A 9.07 5.43 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.96 4.79 0.00 3.29 3.20 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 0.00 126 V 7.15 3.82 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 0.94 0.00 0.00 1.00 0.00 0.00 127 N 9.12 4.21 0.00 2.72 2.69 0.00 0.00 6.67 8.02 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 0.00 128 P 0.00 4.72 0.00 2.07 1.96 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 129 D 7.89 4.68 0.00 2.57 2.42 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 0.00 130 P 0.00 3.71 0.00 2.35 2.26 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 131 A 7.33 3.99 1.41 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 0.00 132 V 8.00 3.47 2.03 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 0.69 0.00 0.00 1.15 0.00 0.00 133 E 7.54 3.74 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 134 F 7.15 4.37 0.00 3.19 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 0.00 135 A 8.33 4.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 W 8.82 4.87 0.00 3.24 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.61 3.95 0.00 1.90 2.48 0.00 3.47 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 138 R 8.58 3.70 0.00 1.71 1.17 0.00 3.29 0.00 0.00 3.20 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 139 A 7.83 3.84 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 0.00 140 Y 8.82 3.88 0.00 3.28 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 0.00 141 M 8.14 3.87 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.04 0.00 142 K 9.01 3.59 0.00 1.67 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.56 7.81 143 V 5.45 3.06 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 0.63 0.00 0.00 0.92 0.00 0.00 144 T 8.43 4.39 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 0.00 145 P 0.00 4.59 0.00 2.17 2.10 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 146 T 8.72 3.37 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 1.20 0.00 0.00 147 V 7.39 3.17 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 0.95 0.00 0.00 0.85 0.00 0.00 148 N 8.55 4.98 0.00 2.99 2.75 0.00 0.00 7.36 7.44 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 0.00 149 I 8.14 3.90 1.55 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.25 0.00 0.00 150 D 8.83 4.65 0.00 2.78 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 0.00 151 S 8.52 6.22 0.00 3.72 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 0.00 152 S 9.15 4.40 0.00 4.32 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 0.00 153 P 0.00 4.15 0.00 2.51 2.47 0.00 3.98 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 154 A 8.89 4.11 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 0.00 155 G 7.54 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 0.00 0.00 0.00 156 N 8.40 4.15 0.00 2.56 2.71 0.00 0.00 7.03 7.96 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 0.00 157 A 8.47 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.