NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7921 8.3393 109.7379 45.6091 0.0000 177.1237 *2 T 4.1783 8.2792 115.7279 61.1541 70.7410 173.9571 3 T 4.0152 8.2746 112.1043 65.0557 68.7547 176.8161 4 S 4.1113 8.0187 117.6031 61.4817 62.9571 176.2560 5 E 3.9892 8.1494 121.2298 59.7661 29.1513 179.1555 6 H 4.5320 8.3796 116.2527 59.0455 28.7241 177.9452 7 I 3.5239 8.1915 121.7959 64.1702 36.8893 178.3214 8 A 3.9500 8.1965 121.4627 55.1105 18.1270 179.5509 9 A 3.9980 8.1095 119.2667 55.3400 18.4103 179.9195 10 L 3.6982 7.8804 117.6154 57.9595 41.5676 179.8611 11 T 3.8682 8.1214 115.7461 66.5566 68.3336 176.5345 12 A 3.9837 8.1107 122.6812 55.0044 18.3562 179.2987 13 L 3.8041 8.1279 119.1337 58.3114 42.0360 179.4124 14 V 3.5074 7.8612 118.1734 65.9054 31.2359 177.5262 15 E 2.7841 7.4923 117.6833 59.2236 29.5056 178.5996 16 T 3.9038 7.6840 114.7072 66.6243 68.5797 175.5834 17 Y 4.3578 7.8987 120.5044 60.7390 38.8513 179.1836 18 V 2.8578 6.8553 113.5200 63.3215 31.3053 175.7853 *20 A 4.1078 7.7628 118.0888 52.0130 20.1950 179.4191 *22 T 4.3977 7.8992 117.2302 65.3444 70.2148 176.4440 23 R 4.2327 8.0353 117.0734 56.4285 30.6186 176.2604 24 G 3.7686 7.9460 105.4159 46.9500 0.0000 175.2074 25 D 4.5721 8.1180 120.5713 52.3950 40.6690 175.1446 26 R 3.8605 8.2848 126.0529 58.8924 30.3918 175.9649 27 P 4.2200 0.0000 0.0000 65.5472 31.3044 178.4769 28 A 3.9992 8.2897 119.5235 55.1919 18.3428 179.7335 29 L 4.2201 8.0923 117.5447 58.1124 41.4860 179.6520 30 E 4.0755 8.4122 117.9917 58.9530 29.3770 179.1998 31 R 4.0066 7.6733 118.6410 59.2995 30.6034 178.1661 32 I 3.8649 8.0243 111.8006 61.1805 37.9378 175.1029 33 F 5.1611 7.3880 119.2301 55.1525 41.2769 175.5117 34 F 4.2813 8.9558 124.1913 57.3383 39.4793 176.5197 35 G 3.8114 9.0934 112.6680 48.7902 0.0000 174.4613 36 K 4.4489 8.0655 116.1830 55.9596 32.2158 176.5030 37 A 5.2028 8.2982 121.3305 51.7130 19.2177 177.8638 38 S 5.0612 8.7393 113.3995 56.4271 67.0324 172.4724 39 E 4.8398 8.9504 122.4286 54.4375 32.1519 174.6773 40 V 4.6065 8.4899 126.7896 60.8428 35.2647 174.9597 41 G 2.9631 7.7500 114.0276 45.6549 0.0000 171.2057 42 H 5.1648 8.3090 116.4153 54.6639 30.1033 174.7502 43 Y 4.7302 8.8777 124.7581 57.0330 41.4476 174.7930 44 E 3.6794 9.4106 127.7205 57.5987 26.8879 175.7936 45 G 3.9763 8.4710 104.7845 45.7086 0.0000 173.5156 46 E 4.8285 7.8527 118.4243 53.7600 32.9457 174.7142 47 L 4.4923 8.5699 123.3532 55.1447 43.1421 175.7146 48 L 4.7413 9.1929 128.9233 53.1968 44.6375 174.8671 49 W 4.6043 9.0776 135.0000 56.0009 31.9646 174.1557 50 N 5.2102 9.1110 126.3470 51.4231 40.3777 175.9249 51 S 4.8690 8.6793 118.0151 57.4630 64.6317 175.0926 52 R 2.5100 8.3696 119.6294 59.0920 29.6114 177.8736 53 D 4.1345 7.8317 117.9263 57.1823 40.6123 178.5684 54 A 3.9240 7.5864 120.2239 55.2106 18.5679 179.5034 55 F 4.3014 7.9236 111.9041 59.8419 38.2631 177.5294 56 I 3.8257 7.3706 120.5447 63.8599 36.8374 179.0853 57 A 4.7006 7.5985 121.8708 51.9374 18.3864 179.1634 *59 C 4.6522 8.0957 120.3779 61.6456 30.0597 176.3722 60 E 4.0979 8.7113 119.3499 59.6545 29.3011 178.9151 61 D 4.3427 8.2352 117.0458 57.2001 40.8785 177.5168 62 A 4.4334 7.5672 117.0355 51.4217 19.2028 176.8447 63 A 4.3113 7.5818 120.3403 53.1907 18.8517 177.4095 64 D 4.6503 8.7114 119.9541 52.3435 43.6169 175.7109 65 A 4.2221 8.7859 129.7148 54.1613 18.7545 177.4038 66 E 4.6589 8.1036 112.0741 56.2805 31.9741 176.6521 67 T 3.8462 7.9786 115.8963 63.6047 68.8604 173.4551 68 D 4.7133 8.5125 125.7868 51.9922 41.0331 174.0511 69 P 4.6459 0.0000 0.0000 62.1585 32.6486 175.7976 70 F 4.6392 8.8297 123.4772 58.1774 40.5014 173.8848 71 W 4.8112 7.2299 120.2643 55.6498 30.7177 173.2762 72 A 4.2742 8.7708 121.7591 50.7426 22.6899 175.5586 73 I 4.5176 8.2072 121.8663 60.4441 37.3297 175.8933 74 S 4.5526 9.0139 125.3472 60.9681 63.6625 175.0505 75 S 4.7127 7.7139 111.5214 57.3819 66.0299 174.0756 76 V 4.6765 8.1932 120.4955 61.5611 34.4732 174.3344 77 S 4.8141 8.6454 122.7733 56.6971 66.6535 173.3073 78 V 4.7253 8.3233 122.3806 61.1790 34.4968 174.7460 79 Q 4.4210 8.9682 125.3838 54.7592 32.3540 176.6730 80 G 3.8558 8.5162 114.9924 47.0214 0.0000 172.7117 81 D 4.5711 8.9254 124.3730 52.4017 39.6688 175.0324 82 I 5.2830 7.9968 113.3755 60.0201 40.8211 174.8598 83 A 5.3175 8.6527 123.8048 50.5305 22.6055 174.6177 *85 L 4.4294 8.4095 113.1837 55.1971 43.8101 175.7467 86 H 5.6202 9.2923 122.7451 54.7316 32.0879 172.9134 87 V 4.9316 9.0713 126.2221 61.2018 34.5736 173.8833 88 E 5.3861 9.2549 127.7862 55.3202 31.4823 174.8098 89 N 5.4669 9.2973 119.6958 52.3080 41.1366 172.8603 90 D 5.5700 8.8287 120.4851 52.9924 42.8920 176.2815 91 W 4.9098 9.1837 130.6121 57.5609 33.6776 173.8525 92 A 3.2184 9.0858 128.3827 53.0389 15.8024 176.1743 93 G 3.4682 7.9173 101.4281 47.5174 0.0000 174.7324 *95 R 4.6018 7.5133 117.5997 56.1687 32.0363 174.6419 96 F 5.5070 9.7303 124.2576 55.8669 43.5015 173.6093 97 D 5.5313 8.9787 121.0101 52.8835 43.1912 174.9516 98 D 5.5022 9.4355 124.0629 52.5000 43.9934 175.2990 99 F 5.5992 9.4981 122.2442 56.0871 41.1958 174.3515 100 L 5.2816 8.9467 124.9126 53.0774 43.7832 176.2129 101 T 4.8021 8.6324 113.1621 60.0756 71.3950 173.5320 102 V 5.0195 8.9735 123.7868 61.2063 35.7988 173.5019 103 L 5.2545 9.0855 127.5944 53.1502 45.4373 175.0152 104 L 3.8882 8.3400 129.0533 54.1936 42.4820 175.5266 105 H 4.7416 8.8111 126.5547 55.5695 32.8140 172.9839 106 E 3.9440 9.7335 125.8556 57.4633 26.8360 175.6656 107 G 3.9464 9.1997 105.3043 45.2160 0.0000 173.8328 108 S 4.6872 7.5500 113.0230 56.1945 66.8928 173.3890 109 W 4.7993 8.7673 121.8938 56.7471 29.8095 175.7316 110 R 4.6384 9.1189 124.0914 54.5078 33.7018 173.8791 111 I 4.2875 8.7426 127.2306 61.5135 37.9040 176.8507 112 V 4.0637 9.0800 127.6793 65.3648 32.9099 175.4937 113 S 5.0992 7.6376 112.2392 57.3096 66.5547 173.4566 114 K 4.9798 8.8610 124.7829 54.8389 35.2863 175.2689 115 V 4.9053 8.9505 121.0236 59.8282 34.6816 174.3317 116 Y 5.4442 7.9274 121.0582 55.6341 41.6075 174.3323 117 R 4.7873 8.9924 115.6677 54.6706 33.3434 173.8574 118 I 4.4058 8.3632 121.9207 60.0677 38.6235 175.9496 119 R 4.1655 8.5192 125.2555 56.4606 29.5839 176.5054 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 8.34 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 0.00 0.00 0.00 *2 T 8.28 4.18 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 1.26 0.00 0.00 3 T 8.27 4.02 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 1.28 0.00 0.00 4 S 8.02 4.11 0.00 3.89 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 5 E 8.15 3.99 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 6 H 8.38 4.53 0.00 3.44 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.19 3.52 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.86 0.00 0.00 8 A 8.20 3.95 1.38 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 0.00 0.00 9 A 8.11 4.00 1.56 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 0.00 0.00 10 L 7.88 3.70 0.00 1.54 1.43 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.12 3.87 4.42 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 1.32 0.00 0.00 12 A 8.11 3.98 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 13 L 8.13 3.80 0.00 1.82 1.81 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.86 3.51 2.18 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 0.87 0.00 0.00 0.97 0.00 0.00 15 E 7.49 2.78 0.00 1.98 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 2.25 2.31 0.00 16 T 7.68 3.90 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 1.18 0.00 0.00 17 Y 7.90 4.36 0.00 2.65 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 18 V 6.86 2.86 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 0.58 0.00 0.00 0.34 0.00 0.00 *20 A 7.76 4.11 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 *22 T 7.90 4.40 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 1.26 0.00 0.00 23 R 8.04 4.23 0.00 1.80 1.99 0.00 3.49 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 24 G 7.95 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 0.00 0.00 0.00 25 D 8.12 4.57 0.00 2.72 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 26 R 8.28 3.86 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 27 P 0.00 4.22 0.00 2.19 2.09 0.00 3.89 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 2.11 2.15 0.00 28 A 8.29 4.00 1.43 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 0.00 0.00 29 L 8.09 4.22 0.00 1.90 1.85 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.41 4.08 0.00 1.91 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 2.29 2.42 0.00 31 R 7.67 4.01 0.00 1.90 2.14 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 32 I 8.02 3.86 1.69 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 1.83 0.49 0.93 0.00 0.00 33 F 7.39 5.16 0.00 3.22 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 34 F 8.96 4.28 0.00 3.18 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 35 G 9.09 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 36 K 8.07 4.45 0.00 1.79 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 37 A 8.30 5.20 1.68 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 38 S 8.74 5.06 0.00 3.27 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 0.00 39 E 8.95 4.84 0.00 1.16 1.53 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 2.14 1.88 0.00 40 V 8.49 4.61 1.56 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 0.60 0.00 0.00 -0.75 0.00 0.00 41 G 7.75 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.31 5.16 0.00 3.14 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.88 4.73 0.00 3.25 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 44 E 9.41 3.68 0.00 2.17 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 0.00 1.92 1.49 0.00 45 G 8.47 3.98 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 0.00 46 E 7.85 4.83 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 47 L 8.57 4.49 0.00 1.74 1.68 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.19 4.74 0.00 1.94 1.66 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 W 9.08 4.60 0.00 3.56 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.11 5.21 0.00 2.84 2.87 0.00 0.00 6.47 7.60 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 51 S 8.68 4.87 0.00 4.01 4.09 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 52 R 8.37 2.51 0.00 1.70 1.73 0.00 3.19 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.00 53 D 7.83 4.13 0.00 2.64 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 54 A 7.59 3.92 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 55 F 7.92 4.30 0.00 2.75 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 56 I 7.37 3.83 1.70 0.00 0.00 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 1.30 0.06 0.85 0.00 0.00 57 A 7.60 4.70 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 *59 C 8.10 4.65 0.00 3.21 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 60 E 8.71 4.10 0.00 2.18 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 2.34 2.47 0.00 61 D 8.24 4.34 0.00 2.77 2.80 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 62 A 7.57 4.43 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 63 A 7.58 4.31 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 64 D 8.71 4.65 0.00 2.58 2.52 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 0.00 65 A 8.79 4.22 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 66 E 8.10 4.66 0.00 1.93 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 0.00 2.20 2.29 0.00 67 T 7.98 3.85 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 1.25 0.00 0.00 68 D 8.51 4.71 0.00 2.65 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 69 P 0.00 4.65 0.00 2.35 2.12 0.00 3.92 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 2.12 1.97 0.00 70 F 8.83 4.64 0.00 3.24 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 7.23 4.81 0.00 3.37 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 72 A 8.77 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.21 4.52 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.94 0.00 0.00 74 S 9.01 4.55 0.00 3.53 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 75 S 7.71 4.71 0.00 3.85 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 76 V 8.19 4.68 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 0.68 0.00 0.00 0.89 0.00 0.00 77 S 8.65 4.81 0.00 3.71 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.32 4.73 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 0.99 0.00 0.00 0.75 0.00 0.00 79 Q 8.97 4.42 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 80 G 8.52 3.86 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 81 D 8.93 4.57 0.00 2.80 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 82 I 8.00 5.28 1.95 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 1.33 1.14 0.95 0.00 0.00 83 A 8.65 5.32 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 *85 L 8.41 4.43 0.00 1.60 1.66 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.29 5.62 0.00 3.28 3.24 0.00 5.54 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.07 4.93 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 1.21 0.00 0.00 1.02 0.00 0.00 88 E 9.25 5.39 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 89 N 9.30 5.47 0.00 2.90 2.97 0.00 0.00 6.63 7.53 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 90 D 8.83 5.57 0.00 2.86 2.81 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 91 W 9.18 4.91 0.00 3.01 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 92 A 9.09 3.22 0.14 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 93 G 7.92 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 R 7.51 4.60 0.00 2.01 1.86 0.00 3.45 0.00 0.00 3.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 96 F 9.73 5.51 0.00 3.27 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 97 D 8.98 5.53 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.44 5.50 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.50 5.60 0.00 2.88 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 L 8.95 5.28 0.00 1.42 1.45 0.63 0.54 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 0.00 101 T 8.63 4.80 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 1.22 0.00 0.00 102 V 8.97 5.02 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 1.23 0.00 0.00 0.87 0.00 0.00 103 L 9.09 5.25 0.00 1.85 1.69 0.98 0.31 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 0.00 104 L 8.34 3.89 0.00 0.27 0.78 0.18 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.81 4.74 0.00 3.25 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.73 3.94 0.00 1.98 1.89 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 2.04 1.73 0.00 107 G 9.20 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 0.00 108 S 7.55 4.69 0.00 3.87 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 0.00 109 W 8.77 4.80 0.00 3.17 3.16 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 0.00 110 R 9.12 4.64 0.00 1.53 1.17 0.00 2.52 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.35 0.00 111 I 8.74 4.29 1.00 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 0.75 0.39 0.81 0.00 0.00 112 V 9.08 4.06 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 0.88 0.00 0.00 0.95 0.00 0.00 113 S 7.64 5.10 0.00 3.75 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 0.00 114 K 8.86 4.98 0.00 1.76 1.40 0.00 1.45 0.00 0.00 1.84 0.00 0.00 2.60 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.29 1.26 7.81 115 V 8.95 4.91 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 0.61 0.00 0.00 1.08 0.00 0.00 116 Y 7.93 5.44 0.00 3.23 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 0.00 117 R 8.99 4.79 0.00 1.89 1.92 0.00 2.81 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 118 I 8.36 4.41 1.80 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 0.42 0.74 0.61 0.00 0.00 119 R 8.52 4.17 0.00 1.66 1.82 0.00 3.23 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.