NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4404 8.1927 116.7937 58.3444 65.4255 175.4002 5 E 3.5365 8.1494 121.0096 57.3765 29.2840 177.2001 6 S 4.1333 8.7699 115.4008 61.5549 63.4963 175.9397 7 Q 3.9814 7.9413 120.3335 58.3170 28.5736 177.8916 8 L 4.0346 8.4941 121.4069 58.0707 42.2273 178.5865 9 K 4.0836 7.7351 118.2104 59.2244 32.4774 179.4112 10 K 4.2655 7.9238 118.6981 56.3367 31.9965 178.3617 *12 V 3.5270 7.6784 109.8450 61.4554 33.1649 178.2858 13 S 4.0714 7.7489 118.3709 61.7560 62.5929 176.1381 14 K 4.5418 8.0719 115.6204 56.3234 32.0649 175.9366 15 Y 4.4016 8.1212 117.3957 57.2034 38.6588 176.2805 16 K 3.9231 8.2776 122.5423 58.8126 32.8645 177.3861 17 Y 4.9171 7.5028 115.4072 55.7170 38.4930 175.8974 18 R 4.0156 8.1708 123.2013 59.4066 30.8687 178.2886 19 D 4.4134 8.1533 118.1408 57.3382 40.9107 178.6388 20 L 4.1092 8.0630 118.9896 58.2510 41.7439 179.5832 21 T 4.1724 8.1490 115.6286 66.6772 68.3325 176.9961 22 V 3.5822 8.0738 120.2496 65.8324 31.6179 177.9924 23 R 3.9023 8.1055 118.4342 59.5975 29.9594 178.2676 24 E 4.0508 8.2633 118.2731 59.8311 29.5100 179.6115 25 T 3.8553 8.0277 115.6735 66.5216 68.5096 176.8496 26 V 3.5975 8.1275 120.5432 66.3025 31.0167 177.8962 27 N 4.3879 8.1789 116.0237 56.0440 38.3245 177.5804 28 V 3.7622 7.8712 119.7919 66.3434 31.7618 178.3105 29 I 4.0119 7.8980 119.3539 64.4413 36.6148 178.5426 30 T 3.9394 7.6891 116.1827 66.7201 68.3809 176.1714 31 L 4.1265 7.3343 118.3887 55.7296 42.9816 176.6496 32 Y 4.6555 7.7245 116.8936 55.4452 38.2457 175.9640 33 K 4.3177 8.2625 122.0889 58.3115 33.4983 178.3109 34 D 4.6963 8.1128 118.5626 54.3447 41.2591 175.0921 35 L 5.2215 7.6463 120.1816 53.2426 43.1956 176.2497 36 K 4.7958 8.8158 121.7849 54.3422 36.4356 173.4565 37 P 4.9912 0.0000 0.0000 62.6139 32.2369 175.5257 38 V 4.4429 8.5870 123.2826 60.9377 34.9192 173.9828 39 L 4.8699 8.4581 128.3317 53.8792 43.2621 175.0538 40 D 4.9463 9.2044 124.8336 52.9240 46.2887 174.2703 41 S 4.8369 8.7335 115.7517 58.1117 63.2639 172.5621 42 Y 3.6570 8.9164 129.9620 56.3393 39.9568 174.1112 43 V 4.4182 7.1453 126.9427 61.1106 32.5035 175.6198 44 F 4.4358 9.0343 127.7172 56.9306 39.5369 176.5284 45 N 4.3088 8.8892 119.6882 56.2578 38.3547 175.9745 46 D 4.5412 8.1926 115.3369 53.4124 39.8718 177.2110 47 G 3.9840 8.3940 109.8000 45.3063 0.0000 174.2731 48 S 4.5048 8.3976 114.8351 58.5871 64.3603 173.5142 49 S 5.4091 8.5820 116.0157 57.1772 66.3680 173.7666 50 R 4.8186 8.8555 120.7382 54.7861 34.9629 174.1010 51 E 4.8365 8.9293 122.8914 55.4655 30.1088 175.0886 52 L 5.0821 9.7047 128.6441 54.2618 45.7229 176.9763 *54 N 4.6532 8.7575 123.9492 53.6897 38.9740 172.7662 55 L 4.9441 8.1634 120.1299 53.7513 43.8421 175.6554 56 T 4.8053 9.5578 117.6537 59.7356 71.2537 174.5116 57 G 4.6231 7.3574 113.2534 46.0119 0.0000 171.3466 58 T 5.2220 7.9231 110.4300 59.9702 71.6476 173.8379 59 I 4.7477 8.2218 115.9039 58.3616 40.7630 172.7411 60 P 5.0167 0.0000 0.0000 62.6023 32.3056 175.5161 61 V 4.4596 8.8985 125.5037 60.1563 33.8783 172.8869 62 P 5.0347 0.0000 0.0000 62.8901 32.4119 176.0208 63 Y 4.6682 9.5721 125.0163 57.7321 41.8436 174.8545 64 R 3.9143 9.4894 127.9409 57.2376 27.5622 177.0599 65 G 3.9936 8.5578 105.8752 45.0261 0.0000 173.2220 66 N 4.8982 7.8500 115.7262 51.6918 41.2177 173.2487 67 T 4.8206 8.0362 115.9177 62.2344 70.6035 173.4833 68 Y 4.4816 9.0069 124.9623 56.4798 40.1777 174.8877 69 N 5.1530 8.8906 122.6393 52.1676 39.1936 174.2291 70 I 4.2178 8.4282 126.0563 59.6145 38.8589 173.9147 71 P 5.0077 0.0000 0.0000 62.4877 32.6211 175.5401 72 I 5.3104 9.1373 117.2248 59.5102 42.2070 173.6639 73 C 4.9965 9.0003 121.7966 57.9797 35.1443 172.3894 74 L 5.0531 8.8957 126.7954 52.8698 43.8293 175.3562 75 W 4.8059 9.3927 125.7033 55.5981 30.7530 175.6797 76 L 4.8054 8.5472 125.0394 52.9833 42.3139 176.8612 77 L 4.2509 8.6070 124.2610 54.3903 42.6411 177.8232 78 D 3.3700 8.3169 119.4238 55.1969 39.6781 177.5616 79 T 4.5130 7.7243 109.8334 61.6947 69.2711 173.7234 80 Y 4.1358 8.1131 124.5985 57.8859 39.1485 173.7748 81 P 2.9700 0.0000 0.0000 62.4864 31.4448 176.2038 82 Y 4.2170 8.0961 116.9464 59.5645 38.1710 175.1895 83 N 5.1038 7.7124 116.1613 50.1270 42.3286 172.3534 84 P 2.9700 0.0000 0.0000 61.1113 32.0781 174.4382 85 P 4.5355 0.0000 0.0000 62.9856 32.5218 175.5757 86 I 4.0939 8.5535 122.5995 60.7809 38.5013 174.6548 87 C 5.3880 8.2252 124.4084 57.8974 31.6191 173.1105 88 F 5.4327 9.0106 120.7667 55.6653 43.0297 174.1602 89 V 4.2771 9.1847 123.0869 62.7431 32.7053 175.2552 90 K 4.8837 8.5975 128.0760 53.3971 31.6227 173.7159 91 P 4.2509 0.0000 0.0000 62.6718 32.1355 177.5033 92 T 4.4027 7.9977 111.3630 60.1510 70.7816 174.6068 93 S 4.1883 8.5314 115.2895 60.9070 63.2939 174.6274 94 S 4.4835 7.2321 115.7276 58.0033 62.9404 174.3978 *96 T 3.8911 7.5201 115.9827 64.0613 70.2458 174.8582 97 I 4.0764 8.1464 126.8652 61.2249 38.0023 175.6860 98 K 4.5330 8.4293 129.6735 54.7216 32.0974 176.1511 99 T 4.3093 8.4662 117.9441 61.9793 69.8215 174.8947 100 G 3.9714 8.5663 111.6515 45.4558 0.0000 174.4038 101 K 3.8291 8.8920 118.7658 59.1608 32.3293 177.2990 102 H 5.6209 8.0526 112.6550 54.9016 30.4503 174.0484 103 V 4.9970 7.6184 119.9339 61.2701 34.5824 174.4003 104 D 5.2350 8.7721 126.9238 51.7430 41.6032 176.7533 105 A 4.0988 8.4683 120.7083 55.0346 18.4057 178.3883 106 N 4.5062 8.2661 112.0329 54.2673 39.0969 176.3626 107 G 4.1509 8.4190 107.0198 45.7275 0.0000 173.1704 108 K 4.1349 8.2098 121.9095 56.4651 33.3688 175.3334 109 I 4.9400 7.7590 127.8935 60.0593 39.2592 174.7364 110 Y 4.8580 8.9970 123.7108 56.2790 41.3780 174.8879 111 L 4.9180 8.5276 122.2130 51.6572 46.2124 174.8085 112 P 4.3759 0.0000 0.0000 66.1780 31.0000 178.3354 113 Y 3.9805 8.1112 116.8554 60.6412 38.8298 177.9078 114 L 4.4319 8.1036 119.4702 58.1681 41.7776 178.5895 115 H 4.3271 8.3062 116.9009 58.5663 29.7506 176.1478 116 E 4.5328 7.9925 117.8019 54.4053 30.0376 175.5934 117 W 3.8119 7.1812 129.3441 57.9190 31.1911 175.7026 118 K 4.1992 8.2012 126.7224 55.3214 34.2357 174.5057 119 H 4.0491 8.4074 126.9122 55.5960 30.2305 172.9893 120 P 3.9225 0.0000 0.0000 62.6510 31.8587 176.7668 121 Q 3.9020 7.6130 118.7878 58.9130 28.8296 176.9511 122 S 3.8706 7.5152 114.4510 57.3474 63.4616 173.1220 123 D 5.0204 8.6928 123.3723 51.0327 42.7946 176.0579 124 L 4.2971 9.2154 118.3942 57.9506 41.2979 179.7740 125 L 4.2078 8.0716 118.7795 57.8272 41.6744 179.6141 126 G 3.4984 8.4252 105.7235 47.1274 0.0000 175.5856 127 L 3.1427 7.4087 121.7718 57.7886 42.2354 178.8405 128 I 3.6190 7.4650 118.6379 64.1496 37.1861 177.8740 129 Q 4.1881 8.0554 119.1397 59.0411 28.6127 180.9592 130 V 3.5107 7.1794 117.0467 63.3142 31.5058 177.6714 *132 I 4.1436 7.7685 119.6992 60.8773 39.4595 178.3587 133 V 3.5950 7.6406 119.1487 65.8838 31.2627 178.3999 134 V 3.6740 8.1286 118.3592 66.1356 31.3081 178.1077 135 F 4.9272 7.4386 118.4418 60.0086 38.5144 177.6357 136 G 3.7846 8.1413 104.4291 47.0096 0.0000 174.4511 137 D 4.9265 7.5749 117.9420 54.6988 42.9826 176.2249 138 E 4.6301 8.3053 118.5636 53.3201 30.2614 171.3183 139 P 4.4750 0.0000 0.0000 61.4115 32.0981 174.8701 140 P 4.4734 0.0000 0.0000 63.7256 32.4966 175.8828 141 V 4.8885 7.2943 112.8189 59.4236 35.7228 175.4242 142 F 4.5168 8.1150 117.5058 57.1145 37.5430 174.5680 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 4 S 8.19 4.44 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 5 E 8.15 3.54 0.00 2.11 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 2.38 2.43 0.00 6 S 8.77 4.13 0.00 4.09 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 7 Q 7.94 3.98 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 8 L 8.49 4.03 0.00 1.70 1.87 0.86 0.13 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 9 K 7.74 4.08 0.00 2.08 1.83 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 10 K 7.92 4.27 0.00 2.02 1.80 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *12 V 7.68 3.53 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 0.12 0.00 0.00 0.88 0.00 0.00 13 S 7.75 4.07 0.00 3.94 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 14 K 8.07 4.54 0.00 1.87 1.88 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 15 Y 8.12 4.40 0.00 3.11 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 16 K 8.28 3.92 0.00 1.13 1.15 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 17 Y 7.50 4.92 0.00 3.38 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 18 R 8.17 4.02 0.00 1.92 2.02 0.00 3.17 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 19 D 8.15 4.41 0.00 2.77 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 20 L 8.06 4.11 0.00 1.86 1.82 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.15 4.17 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 1.22 0.00 0.00 22 V 8.07 3.58 2.11 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 1.08 0.00 0.00 0.97 0.00 0.00 23 R 8.11 3.90 0.00 2.19 2.10 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 24 E 8.26 4.05 0.00 2.40 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 2.46 2.70 0.00 25 T 8.03 3.86 4.38 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 1.16 0.00 0.00 26 V 8.13 3.60 2.29 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 1.04 0.00 0.00 0.96 0.00 0.00 27 N 8.18 4.39 0.00 2.99 2.88 0.00 0.00 6.70 7.68 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 28 V 7.87 3.76 2.30 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 1.11 0.00 0.00 1.03 0.00 0.00 29 I 7.90 4.01 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.10 0.91 0.00 0.00 30 T 7.69 3.94 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 1.17 0.00 0.00 31 L 7.33 4.13 0.00 1.32 0.60 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.72 4.66 0.00 3.15 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 33 K 8.26 4.32 0.00 1.86 1.93 0.00 1.16 0.00 0.00 2.35 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 34 D 8.11 4.70 0.00 2.90 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 35 L 7.65 5.22 0.00 1.70 1.57 0.87 0.53 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 36 K 8.82 4.80 0.00 1.74 1.82 0.00 1.28 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.31 7.81 37 P 0.00 4.99 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 38 V 8.59 4.44 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 0.76 0.00 0.00 0.86 0.00 0.00 39 L 8.46 4.87 0.00 1.67 1.57 1.02 1.22 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 40 D 9.20 4.95 0.00 2.94 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 41 S 8.73 4.84 0.00 3.93 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 42 Y 8.92 3.66 0.00 2.15 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 0.00 0.00 0.00 0.00 43 V 7.15 4.42 1.75 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 0.79 0.00 0.00 0.77 0.00 0.00 44 F 9.03 4.44 0.00 3.31 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 45 N 8.89 4.31 0.00 2.79 2.93 0.00 0.00 6.95 8.06 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 46 D 8.19 4.54 0.00 2.78 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 47 G 8.39 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 48 S 8.40 4.50 0.00 3.98 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 49 S 8.58 5.41 0.00 3.76 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 50 R 8.86 4.82 0.00 2.13 1.93 0.00 3.23 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 51 E 8.93 4.84 0.00 1.95 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 2.39 2.35 0.00 52 L 9.70 5.08 0.00 2.01 1.51 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *54 N 8.76 4.65 0.00 2.10 1.69 0.00 0.00 5.90 6.67 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 55 L 8.16 4.94 0.00 1.50 1.53 0.85 0.39 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 56 T 9.56 4.81 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 1.13 0.00 0.00 57 G 7.36 4.62 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 0.00 0.00 0.00 58 T 7.92 5.22 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 1.23 0.00 0.00 59 I 8.22 4.75 1.76 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 1.31 0.85 0.66 0.00 0.00 60 P 0.00 5.02 0.00 2.19 2.19 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 61 V 8.90 4.46 2.25 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 1.26 0.00 0.00 1.15 0.00 0.00 62 P 0.00 5.03 0.00 2.08 2.05 0.00 3.86 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 2.11 2.16 0.00 63 Y 9.57 4.67 0.00 3.03 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 64 R 9.49 3.91 0.00 1.47 1.75 0.00 2.98 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 65 G 8.56 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 0.00 0.00 0.00 66 N 7.85 4.90 0.00 2.67 2.39 0.00 0.00 6.65 7.00 0.00 0.00 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 T 8.04 4.82 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 1.24 0.00 0.00 68 Y 9.01 4.48 0.00 3.16 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 69 N 8.89 5.15 0.00 2.63 2.84 0.00 0.00 7.14 7.45 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 70 I 8.43 4.22 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.81 0.00 0.00 71 P 0.00 5.01 0.00 2.27 1.97 0.00 3.51 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 72 I 9.14 5.31 1.92 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 1.11 0.77 1.07 0.00 0.00 73 C 9.00 5.00 0.00 2.99 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 74 L 8.90 5.05 0.00 1.46 1.48 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 W 9.39 4.81 0.00 3.12 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 76 L 8.55 4.81 0.00 1.74 1.73 0.57 0.57 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 77 L 8.61 4.25 0.00 1.74 1.57 0.89 1.05 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 78 D 8.32 3.37 0.00 2.23 2.44 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 79 T 7.72 4.51 4.39 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 1.24 0.00 0.00 80 Y 8.11 4.14 0.00 3.26 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 81 P 0.00 2.97 0.00 1.83 1.68 0.00 3.69 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 1.00 1.72 0.00 82 Y 8.10 4.22 0.00 3.02 3.04 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 83 N 7.71 5.10 0.00 2.63 2.60 0.00 0.00 6.98 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 84 P 0.00 2.97 0.00 1.82 1.55 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 85 P 0.00 4.54 0.00 1.99 1.98 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 86 I 8.55 4.09 1.92 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.47 0.90 0.00 0.00 87 C 8.23 5.39 0.00 2.67 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 88 F 9.01 5.43 0.00 3.04 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 89 V 9.18 4.28 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 0.89 0.00 0.00 0.82 0.00 0.00 90 K 8.60 4.88 0.00 1.65 1.71 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.51 7.81 91 P 0.00 4.25 0.00 2.10 1.97 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 92 T 8.00 4.40 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 93 S 8.53 4.19 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 94 S 7.23 4.48 0.00 4.05 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 *96 T 7.52 3.89 2.73 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 0.93 0.00 0.00 97 I 8.15 4.08 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.36 1.00 0.00 0.00 98 K 8.43 4.53 0.00 2.00 1.78 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 99 T 8.47 4.31 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 1.24 0.00 0.00 100 G 8.57 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 0.00 101 K 8.89 3.83 0.00 1.47 1.72 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 102 H 8.05 5.62 0.00 3.40 3.56 0.00 5.85 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 0.00 103 V 7.62 5.00 2.11 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 1.08 0.00 0.00 0.99 0.00 0.00 104 D 8.77 5.23 0.00 3.08 3.04 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 0.00 105 A 8.47 4.10 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 0.00 106 N 8.27 4.51 0.00 3.06 2.99 0.00 0.00 7.20 7.67 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 0.00 107 G 8.42 4.15 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 0.00 0.00 0.00 108 K 8.21 4.13 0.00 1.90 1.87 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.73 0.79 7.81 109 I 7.76 4.94 1.86 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.94 0.00 0.00 110 Y 9.00 4.86 0.00 3.06 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 0.00 111 L 8.53 4.92 0.00 1.74 1.56 0.81 0.90 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 0.00 112 P 0.00 4.38 0.00 2.24 2.19 0.00 3.65 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 2.17 2.23 0.00 113 Y 8.11 3.98 0.00 2.96 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 0.00 114 L 8.10 4.43 0.00 2.00 1.75 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.31 4.33 0.00 3.21 3.57 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.99 4.53 0.00 1.99 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 2.21 2.27 0.00 117 W 7.18 3.81 0.00 3.46 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 0.00 118 K 8.20 4.20 0.00 1.54 1.51 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.46 7.81 119 H 8.41 4.05 0.00 2.77 2.49 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.92 0.00 1.94 1.60 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 121 Q 7.61 3.90 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 122 S 7.52 3.87 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 0.00 123 D 8.69 5.02 0.00 3.18 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 0.00 124 L 9.22 4.30 0.00 1.85 1.83 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.07 4.21 0.00 1.75 1.78 0.96 1.11 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 0.00 126 G 8.43 3.50 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 0.00 127 L 7.41 3.14 0.00 2.01 1.99 1.00 1.22 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 0.00 128 I 7.47 3.62 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 -0.05 0.00 0.00 129 Q 8.06 4.19 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 130 V 7.18 3.51 1.85 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 0.83 0.00 0.00 0.72 0.00 0.00 *132 I 7.77 4.14 1.85 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 1.43 0.77 1.01 0.00 0.00 133 V 7.64 3.60 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 1.00 0.00 0.00 0.96 0.00 0.00 134 V 8.13 3.67 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 0.93 0.00 0.00 0.86 0.00 0.00 135 F 7.44 4.93 0.00 3.03 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 0.00 136 G 8.14 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 0.00 137 D 7.57 4.93 0.00 3.02 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 0.00 138 E 8.31 4.63 0.00 2.29 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 2.26 2.33 0.00 139 P 0.00 4.48 0.00 1.61 1.29 0.00 3.57 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.00 140 P 0.00 4.47 0.00 1.68 1.77 0.00 3.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 141 V 7.29 4.89 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 0.58 0.00 0.00 0.79 0.00 0.00 142 F 8.12 4.52 0.00 2.87 2.87 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 * Residues marked with a * may have inaccurate shift predictions.